,zinc_id,Added,Availability,Since,Mwt,logP,Mol Formula,Rings,Heavy Atoms,Hetero Atoms,Fraction sp3,Tranche,pH range,Net Charge,H-bond donors,H-bond acceptors,tPSA,Rotatable bonds,Apolar desolvation,Polar desolvation,smiles
0,ZINC000261527196,2016-02-18,In-Stock,2017-05-12,690.86,2.269,C34H50N4O9S,3,48,14,0.62,KEAB,,,,,,,,,CCN(CC)CCS(=O)(=O)[C@@H]1CCN2C(=O)c3coc(n3)CC(=O)C[C@H](O)C=C(C)C=CCNC(=O)C=C[C@@H](C)[C@@H](C(C)C)OC(=O)[C@@H]12
1,ZINC000003872931,2005-10-04,In-Stock,2015-08-07,428.54,4.777,C25H28N6O,5,32,7,0.4,IJAA,Reference,-1.0,0.0,5.0,85.0,7.0,11.93,-56.77,CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
2,ZINC000000000507,2005-09-30,In-Stock,2015-08-07,254.286,-0.188,C12H18N2O4,1,18,6,0.42,CBAA,Reference,1.0,3.0,4.0,95.0,6.0,-2.67,-48.26,COc1ccc(OC)c([C@H](O)CNC(=O)CN)c1
3,ZINC000000901061,2005-11-07,In-Stock,2015-08-07,136.103,-2.215,C4H8O5,0,9,5,0.75,AAAA,Reference,-1.0,3.0,5.0,100.0,3.0,-4.5,-46.47,O=C(O)[C@H](O)[C@@H](O)CO
4,ZINC000012414057,2008-05-14,In-Stock,2015-08-07,284.408,2.499,C16H18N3S+,3,20,4,0.25,CEBA,Reference,1.0,0.0,3.0,19.0,1.0,8.09,-21.33,CN(C)c1ccc2nc3ccc(=[N+](C)C)cc-3sc2c1
5,ZINC000004475353,2005-12-03,In-Stock,2015-08-07,356.418,4.366,C20H17FO3S,3,25,5,0.15,FIAA,Reference,-1.0,0.0,3.0,57.0,4.0,10.76,-66.12,CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc([S@](C)=O)cc1
6,ZINC000004097304,2005-11-07,In-Stock,2015-08-07,380.456,1.874,C21H29FO5,4,27,6,0.81,GDEB,Reference,0.0,3.0,5.0,94.0,2.0,3.14,-15.63,C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO
7,ZINC000001530695,2004-10-06,In-Stock,2015-08-07,370.587,5.886,C21H26N2S2,4,25,4,0.43,FKAA,Reference,1.0,1.0,3.0,7.0,4.0,13.26,-40.53,CSc1ccc2c(c1)N(CC[C@@H]1CCCCN1C)c1ccccc1S2
8,ZINC000000967521,2004-08-06,In-Stock,2015-08-07,152.237,2.402,C10H16O,2,11,1,0.9,AEAA,Reference,0.0,0.0,1.0,17.0,0.0,5.6,-4.71,CC1(C)[C@H]2CC[C@]1(C)C(=O)C2
9,ZINC000004676424,2005-12-28,In-Stock,2015-08-07,383.376,2.884,C16H15F2N3O4S,3,26,10,0.25,GFAA,Reference,0.0,1.0,6.0,86.0,7.0,2.52,-24.89,COc1ccnc(C[S@@](=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC
10,ZINC000021303210,2008-12-03,In-Stock,2015-08-07,292.14,1.573,C11H10BrN5,3,17,6,0.18,CDEA,Reference,1.0,3.0,4.0,63.0,1.0,4.31,-34.0,Brc1c(N=C2NCCN2)ccc2nccnc12
11,ZINC000000057464,2004-07-23,In-Stock,2015-08-07,248.717,2.524,C12H13ClN4,2,17,5,0.17,BFAA,Reference,1.0,2.0,3.0,79.0,2.0,6.51,-28.64,CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
12,ZINC000000004840,2005-09-26,In-Stock,2015-08-07,270.21,3.254,C12H9F3N2O2,2,19,7,0.17,CGAA,Reference,0.0,1.0,3.0,55.0,2.0,5.78,-8.48,Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1
13,ZINC000000007295,2004-07-23,In-Stock,2015-08-07,296.326,3.064,C17H16N2O3,3,22,5,0.18,CGAA,Reference,0.0,1.0,3.0,72.0,1.0,7.52,-12.62,CC(=O)O[C@H]1Cc2ccccc2N(C(N)=O)c2ccccc21
14,ZINC000001530912,2005-09-26,In-Stock,2015-08-07,302.422,2.215,C17H26N4O,3,22,5,0.59,DEAA,Reference,1.0,1.0,4.0,34.0,5.0,9.04,-39.65,CCOCCn1c(N2CCCN(C)CC2)nc2ccccc21
15,ZINC000000001341,2005-09-29,In-Stock,2015-08-07,166.244,1.979,C10H16NO+,1,12,2,0.4,ADBA,Reference,1.0,1.0,1.0,20.0,2.0,4.96,-29.66,CC[N+](C)(C)c1cccc(O)c1
16,ZINC000253630390,2016-02-14,For-Sale,2016-02-27,875.106,5.601,C48H74O14,7,62,14,0.81,KKAE,,,,,,,,,CC[C@@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2
17,ZINC000043206370,2010-05-09,In-Stock,2015-08-07,320.396,2.591,C19H20N4O,4,24,5,0.26,DFAA,Reference,1.0,2.0,3.0,77.0,3.0,6.15,-60.67,NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12
18,ZINC000000020220,2005-09-26,In-Stock,2015-08-07,331.347,1.583,C17H18FN3O3,4,24,7,0.41,EDAA,Reference,0.0,1.0,5.0,81.0,3.0,7.38,-105.79,O=C(O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
19,ZINC000100907004,2015-08-08,In-Stock,2016-02-23,427.42,4.336,C21H32Cl2N4O,3,28,7,0.67,IIAA,,,,,,,,,CN(C)C(=O)N[C@@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1
20,ZINC000019364242,2008-10-31,In-Stock,2015-08-07,292.244,-2.071,C10H16N2O8,0,20,10,0.6,CAAA,Reference,-3.0,1.0,9.0,168.0,11.0,5.17,-186.38,O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O
21,ZINC000253632968,2016-02-14,In-Stock,2016-10-22,749.956,5.254,C38H47N5O7S2,7,52,14,0.55,KKAA,Reference,-1.0,1.0,10.0,158.0,8.0,10.43,-65.57,COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@H]5C=CCCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C
22,ZINC000000001984,2005-10-03,In-Stock,2015-08-07,318.756,3.813,C17H15ClO4,2,22,5,0.18,DHAA,Reference,-1.0,0.0,4.0,66.0,5.0,10.0,-48.15,CC(C)(Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O
23,ZINC000000000053,2005-09-27,In-Stock,2015-08-07,180.159,1.31,C9H8O4,1,13,4,0.11,ADAA,Reference,-1.0,0.0,4.0,66.0,2.0,6.58,-56.82,CC(=O)Oc1ccccc1C(=O)O
24,ZINC000000403011,2005-09-30,In-Stock,2015-08-07,328.412,2.135,C19H24N2O3,2,24,5,0.32,EEAA,Reference,1.0,4.0,3.0,100.0,8.0,3.42,-60.46,C[C@@H](CCc1ccccc1)NC[C@@H](O)c1ccc(O)c(C(N)=O)c1
25,ZINC000019796080,2008-11-10,In-Stock,2015-08-07,379.435,3.678,C22H22FN3O2,4,28,6,0.27,GHAA,Reference,0.0,1.0,4.0,58.0,6.0,9.39,-17.96,O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1
26,ZINC000002599970,2004-10-29,In-Stock,2015-08-07,344.411,2.223,C19H24N2O4,2,25,6,0.32,EEAA,Reference,1.0,4.0,4.0,95.0,9.0,2.06,-46.96,COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1
27,ZINC000003881958,2005-10-05,In-Stock,2015-08-07,337.463,4.221,C22H27NO2,5,25,3,0.68,EIEA,Reference,0.0,1.0,3.0,46.0,0.0,8.69,-7.88,C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C
28,ZINC000003920027,2005-10-19,In-Stock,2015-08-07,500.579,4.43,C25H31F3O5S,4,34,9,0.72,KIEA,Reference,0.0,1.0,6.0,80.0,4.0,10.94,-20.72,CCC(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
29,ZINC000100070937,2015-08-08,In-Stock,2015-08-08,133.122,-0.1,C5H8FNO2,1,9,4,0.8,ABAA,Reference,0.0,1.0,2.0,67.0,1.0,1.4,-38.49,N[C@@]1(C(=O)O)C[C@@H](F)C1
30,ZINC000003872566,2005-10-04,In-Stock,2015-08-07,501.667,5.511,C32H39NO4,4,37,5,0.41,KKAA,Reference,0.0,3.0,4.0,85.0,10.0,14.2,-80.29,CC(C)(C(=O)O)c1ccc([C@H](O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
31,ZINC000072316335,2012-05-17,In-Stock,2015-08-08,434.548,2.796,C23H30N8O,5,32,9,0.48,IFAA,Reference,1.0,2.0,7.0,95.0,5.0,11.01,-55.66,CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n1C1CCCC1
32,ZINC000247316127,2016-02-05,For-Sale,2016-02-25,174.213,-4.172,H6O7Si2,0,9,9,0.0,AAGE,,,,,,,,,O[Si](O)(O)O[Si](O)(O)O
33,ZINC000003871960,2005-10-04,In-Stock,2015-08-07,547.595,0.036,C22H23N6O7S2+,4,37,15,0.32,KCEA,Reference,-1.0,2.0,12.0,194.0,9.0,10.3,-119.82,CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C[n+]3ccccc3)CS[C@H]12)c1csc(N)n1)C(=O)O
34,ZINC000003861599,2005-10-03,In-Stock,2015-08-07,416.583,4.852,C24H32O4S,5,29,5,0.79,HJEA,Reference,0.0,0.0,5.0,60.0,1.0,11.98,-15.79,CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@@H]21
35,ZINC000003830579,2005-09-30,In-Stock,2015-08-07,352.454,2.705,C22H26NO3+,5,26,4,0.41,FFBA,Reference,1.0,1.0,3.0,46.0,4.0,12.17,-33.89,C[N+]12CCC(CC1)[C@@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C2
36,ZINC000013520815,2008-06-21,In-Stock,2015-08-07,272.388,3.609,C18H24O2,4,20,2,0.67,CHAA,Reference,0.0,2.0,2.0,40.0,0.0,4.82,-5.17,C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O
37,ZINC000001530816,2004-10-06,In-Stock,2015-08-07,220.316,2.322,C13H20N2O,1,16,3,0.46,BEAA,Reference,1.0,2.0,1.0,45.0,5.0,5.88,-40.06,CCCN[C@@H](C)C(=O)Nc1ccccc1C
38,ZINC000000896569,2004-07-28,In-Stock,2015-08-07,297.745,-0.351,C7H8ClN3O4S2,2,17,10,0.14,CBAA,Reference,0.0,3.0,5.0,118.0,1.0,-5.27,-18.85,NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O
39,ZINC000002570817,2004-10-27,In-Stock,2015-08-07,334.169,2.889,C15H12BrNO3,2,20,5,0.07,EFAA,Reference,-1.0,1.0,4.0,83.0,4.0,7.87,-42.64,Nc1c(CC(=O)O)cccc1C(=O)c1ccc(Br)cc1
40,ZINC000086040406,2013-02-26,In-Stock,2015-08-08,140.19,-1.02,C6H12N4,4,10,4,1.0,AAAA,Reference,0.0,0.0,4.0,12.0,0.0,-3.95,-1.07,C1N2CN3CN1CN(C2)C3
41,ZINC000038212689,2010-01-12,In-Stock,2015-08-07,130.078,-0.798,C4H3FN2O2,1,9,5,0.0,ABAA,Reference,-1.0,1.0,2.0,64.0,0.0,-3.08,-44.14,O=c1[nH]cc(F)c(=O)[nH]1
42,ZINC000003787060,2005-09-26,In-Stock,2015-08-07,300.296,-1.523,C10H12N4O5S,3,20,10,0.6,DAAA,Reference,-1.0,0.0,8.0,125.0,3.0,-1.1,-55.45,C[C@]1(Cn2ccnn2)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O
43,ZINC000085537014,2013-02-19,In-Stock,2015-08-08,776.042,6.001,C40H53N7O5S2,5,54,14,0.47,KKAA,Reference,0.0,3.0,10.0,138.0,19.0,11.89,-18.76,CC(C)c1nc(CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1
44,ZINC000169621219,2015-08-08,For-Sale,2020-01-16,729.908,3.438,C40H59NO11,10,52,12,0.88,KGEE,,,,,,,,,C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@H](O)CN)[C@@H]3OC
45,ZINC000004658560,2005-12-22,In-Stock,2015-08-07,90.078,-0.548,C3H6O3,0,6,3,0.67,ABAA,Reference,-1.0,1.0,3.0,60.0,1.0,0.33,-46.53,C[C@H](O)C(=O)O
46,ZINC000003831128,2005-09-30,In-Stock,2016-02-24,429.604,5.407,C29H35NO2,5,32,3,0.55,IKAA,Reference,0.0,1.0,3.0,40.0,2.0,12.09,-10.14,CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C
47,ZINC000000001681,2004-07-23,In-Stock,2015-08-07,247.338,2.213,C15H21NO2,2,18,3,0.53,BEAA,Reference,1.0,1.0,2.0,30.0,3.0,9.32,-37.05,CCOC(=O)C1(c2ccccc2)CCN(C)CC1
48,ZINC000006021043,2006-03-01,In-Stock,2015-08-07,149.237,1.837,C10H15N,1,11,1,0.4,ADAA,Reference,1.0,1.0,0.0,16.0,3.0,5.75,-34.65,CN[C@@H](C)Cc1ccccc1
49,ZINC000000602632,2004-07-24,In-Stock,2015-08-07,435.285,4.717,C20H15BrN6O,3,28,8,0.1,IJEA,Reference,0.0,2.0,7.0,120.0,4.0,10.73,-10.15,Cc1cc(C#N)cc(C)c1Oc1nc(Nc2ccc(C#N)cc2)nc(N)c1Br
50,ZINC000001530617,2004-10-06,In-Stock,2015-08-07,339.483,3.362,C21H29N3O,2,25,4,0.43,EGAA,Reference,1.0,2.0,2.0,60.0,8.0,8.65,-35.95,CC(C)N(CC[C@@](C(N)=O)(c1ccccc1)c1ccccn1)C(C)C
51,ZINC000017146904,2008-09-16,In-Stock,2015-08-07,265.338,2.665,C12H15N3O2S,2,18,6,0.33,CFAA,Reference,0.0,2.0,4.0,67.0,4.0,6.79,-7.53,CCCSc1ccc2[nH]/c(=N/C(=O)OC)[nH]c2c1
52,ZINC000001530752,2004-10-06,In-Stock,2015-08-07,357.494,3.343,C22H31NO3,2,26,4,0.59,FGEA,Reference,1.0,2.0,3.0,50.0,7.0,11.76,-37.81,CCN(CC)CC#CCOC(=O)[C@](O)(c1ccccc1)C1CCCCC1
53,ZINC000003940470,2005-10-21,In-Stock,2015-08-07,273.248,-0.33,C13H11N3O4,3,20,7,0.23,CBAA,Reference,0.0,2.0,5.0,109.0,1.0,0.62,-15.9,Nc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O
54,ZINC000003830943,2005-09-30,In-Stock,2015-08-07,821.141,-1.627,C19H26I3N3O9,1,34,15,0.53,KAAA,,,,,,,,,CC(=O)N(C[C@H](O)CO)c1c(I)c(C(=O)NC[C@H](O)CO)c(I)c(C(=O)NC[C@H](O)CO)c1I
55,ZINC000001530569,2004-10-06,In-Stock,2015-08-07,325.449,2.366,C18H31NO4,1,23,5,0.67,EEAA,Reference,1.0,2.0,4.0,64.0,12.0,4.82,-43.71,CC(C)NC[C@H](O)COc1ccc(COCCOC(C)C)cc1
56,ZINC000035801098,2009-10-12,In-Stock,2015-08-07,392.499,3.149,C24H28N2O3,4,29,5,0.38,GGAA,Reference,1.0,4.0,3.0,89.0,6.0,5.8,-65.79,CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2
57,ZINC000100032379,2015-08-08,In-Stock,2015-08-08,242.666,0.29,C9H11ClN4O2,2,16,7,0.44,BCAA,Reference,0.0,2.0,2.0,92.0,2.0,-0.74,-52.46,N=C1CCCN1Cc1[nH]c(=O)[nH]c(=O)c1Cl
58,ZINC000000000301,2005-09-30,In-Stock,2015-08-07,242.274,3.667,C15H14O3,2,18,3,0.13,BHAA,Reference,-1.0,0.0,4.0,77.0,2.0,6.53,-55.49,C[C@H](C(=O)O)c1cccc(Oc2ccccc2)c1
59,ZINC000000000751,2005-11-28,In-Stock,2015-08-07,317.429,3.238,C19H27NO3,3,23,4,0.63,DGAA,Reference,1.0,0.0,4.0,38.0,4.0,9.28,-51.07,COc1cc2c(cc1OC)[C@H]1CC(=O)[C@H](CC(C)C)CN1CC2
60,ZINC000242437514,2016-02-03,In-Stock,2016-02-16,477.603,-3.327,C21H43N5O7,3,33,12,1.0,JAAA,Reference,5.0,8.0,7.0,213.0,7.0,-7.13,-409.7,CN[C@H](C)[C@@H]1CC[C@H](N)[C@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@@H](N)C[C@H]2N)O1
61,ZINC000000895040,2004-07-28,For-Sale,2015-08-07,180.156,-3.22,C6H12O6,1,12,6,1.0,AAAE,,,,,,,,,OC[C@@H]1O[C@@](O)(CO)[C@H](O)[C@H]1O
62,ZINC000003873160,2005-10-04,In-Stock,2015-08-07,422.92,4.267,C22H23ClN6O,4,30,8,0.27,HIAA,Reference,-1.0,1.0,6.0,90.0,8.0,9.38,-46.84,CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
63,ZINC000004099009,2005-11-07,In-Stock,2015-08-07,656.662,2.753,C32H32O13S,8,46,14,0.47,KFAA,Reference,0.0,3.0,14.0,160.0,6.0,3.59,-19.94,COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](c6cccs6)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O
64,ZINC000000002279,2005-09-26,In-Stock,2015-08-07,255.273,2.291,C15H13NO3,3,19,4,0.2,CEAA,Reference,-1.0,0.0,4.0,62.0,3.0,8.68,-49.94,O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)O
65,ZINC000003812865,2005-12-11,In-Stock,2015-08-07,302.242,2.91,C14H10N2O6,2,22,8,0.0,DFCA,Reference,-2.0,2.0,8.0,141.0,4.0,6.11,-108.01,O=C(O)c1cc(/N=N/c2ccc(O)c(C(=O)O)c2)ccc1O
66,ZINC000043194409,2010-05-08,In-Stock,2018-06-01,359.441,4.28,C21H26FNO3,2,26,5,0.33,FIAB,Reference,0.0,1.0,4.0,39.0,12.0,9.1,-10.76,CNc1ccc(/C=C/c2ccc(OCCOCCOCCF)cc2)cc1
67,ZINC000002008310,2004-10-10,In-Stock,2015-08-07,254.373,4.404,C18H22O,3,19,1,0.5,CIEA,Reference,0.0,0.0,1.0,17.0,1.0,10.51,-7.06,Cc1ccc(/C=C2\C(=O)[C@]3(C)CC[C@H]2C3(C)C)cc1
68,ZINC000003932831,2005-10-20,In-Stock,2015-08-07,528.537,6.576,C27H30F6N2O2,5,37,10,0.63,KKAA,Reference,0.0,2.0,2.0,58.0,2.0,11.07,-13.6,C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)C=C[C@]34C)[C@@H]1CC[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F
69,ZINC000009212428,2007-08-14,In-Stock,2015-08-07,473.446,-0.731,C20H23N7O7,3,34,14,0.3,JBAA,Reference,-2.0,5.0,11.0,225.0,10.0,4.11,-139.96,Nc1nc2c(c(=O)[nH]1)N(C=O)[C@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)CN2
70,ZINC000002522648,2004-10-27,In-Stock,2015-08-07,233.311,2.085,C14H19NO2,2,17,3,0.5,BEAA,Reference,1.0,1.0,2.0,42.0,3.0,7.54,-38.95,COC(=O)[C@@H](c1ccccc1)[C@@H]1CCCCN1
71,ZINC000019418959,2008-11-01,In-Stock,2015-08-07,407.505,4.946,C21H24F3N3S,4,28,7,0.43,HJAA,Reference,1.0,1.0,3.0,10.0,4.0,11.46,-37.58,CN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
72,ZINC000169621223,2015-08-08,In-Stock,2016-02-28,822.953,4.335,C43H58N4O12,6,59,16,0.53,KIEA,Reference,-1.0,5.0,15.0,222.0,4.0,7.16,-48.54,CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C
73,ZINC000100018854,2015-08-08,In-Stock,2015-08-08,312.417,2.318,C18H24N4O,4,23,5,0.56,DEAA,Reference,1.0,2.0,3.0,51.0,2.0,7.37,-39.39,CN1[C@H]2CCC[C@@H]1C[C@H](NC(=O)c1nn(C)c3ccccc13)C2
74,ZINC000012466082,2008-05-16,In-Stock,2015-08-07,318.339,3.202,C15H21F3N2O2,1,22,7,0.53,DGEA,Reference,1.0,1.0,3.0,58.0,9.0,6.01,-44.2,COCCCC/C(=N/OCCN)c1ccc(C(F)(F)F)cc1
75,ZINC000003800008,2005-09-26,In-Stock,2015-08-07,451.615,3.194,C26H37N5O2,4,33,7,0.54,JGEA,Reference,2.0,4.0,2.0,74.0,8.0,12.62,-93.88,C=CCN1C[C@H](C(=O)N(CCCN(C)C)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
76,ZINC000000896695,2005-09-30,In-Stock,2015-08-07,121.136,-2.339,C4H11NO3,0,8,4,1.0,AAAA,High pH (8.4),0.0,4.0,4.0,86.0,3.0,-9.1,-5.86,NC(CO)(CO)CO
77,ZINC000001530713,2004-10-06,In-Stock,2015-08-07,324.341,-0.798,C13H20N6O4,2,23,10,0.54,DBAA,Reference,1.0,3.0,8.0,152.0,7.0,3.26,-58.23,CC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21
78,ZINC000001639567,2004-10-07,In-Stock,2015-08-07,133.194,1.501,C9H11N,2,10,1,0.33,ADAA,Reference,1.0,1.0,0.0,27.0,1.0,4.07,-38.93,N[C@@H]1C[C@@H]1c1ccccc1
79,ZINC000000009073,2005-09-30,In-Stock,2015-08-07,267.328,2.85,C17H17NO2,4,20,3,0.29,CFCA,Reference,1.0,3.0,2.0,44.0,0.0,5.69,-44.56,CN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3
80,ZINC000096014710,2014-03-21,In-Stock,2016-03-05,300.442,5.603,C20H28O2,1,22,2,0.45,DKAA,Reference,-1.0,0.0,2.0,40.0,5.0,10.87,-58.35,CC1=C(/C=C\C(C)=C/C=C/C(C)=C\C(=O)O)C(C)(C)CCC1
81,ZINC000002570895,2004-10-27,In-Stock,2015-08-07,381.379,3.514,C17H14F3N3O2S,3,26,9,0.12,GHAA,Reference,0.0,1.0,4.0,77.0,3.0,5.32,-11.96,Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
82,ZINC000003782599,2005-09-26,In-Stock,2015-08-07,372.553,3.815,C23H36N2O2,4,27,4,0.83,FHAA,Reference,0.0,2.0,2.0,58.0,1.0,7.56,-11.64,CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
83,ZINC000000001382,2005-10-04,In-Stock,2015-08-07,303.141,3.606,C13H12Cl2O4,1,19,6,0.23,DHEA,Reference,-1.0,0.0,4.0,66.0,6.0,8.56,-45.91,C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl
84,ZINC000001530601,2005-10-04,In-Stock,2015-08-07,405.969,6.563,C26H28ClNO,3,29,3,0.23,HKAA,Reference,1.0,1.0,1.0,13.0,9.0,16.33,-36.66,CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1
85,ZINC000005133329,2006-01-23,In-Stock,2015-08-07,94.113,1.392,C6H6O,1,7,1,0.0,ADAA,Reference,0.0,1.0,1.0,20.0,0.0,1.63,-3.72,Oc1ccccc1
86,ZINC000008214629,2006-07-04,For-Sale,2015-08-07,616.833,4.484,C33H60O10,1,43,10,0.82,KIEE,Reference,0.0,1.0,10.0,103.0,35.0,11.13,-18.36,CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1
87,ZINC000085432549,2013-02-17,In-Stock,2016-03-01,824.972,3.518,C46H56N4O10,9,60,14,0.57,KHAA,,,,,,,,,CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C=O)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1
88,ZINC000000018635,2005-09-26,In-Stock,2015-08-07,243.31,1.343,C14H17N3O,3,18,4,0.36,BDAA,Reference,1.0,3.0,1.0,75.0,2.0,2.69,-47.64,CN[C@@H]1CCc2[nH]c3ccc(C(N)=O)cc3c2C1
89,ZINC000000057624,2005-09-30,In-Stock,2015-08-07,169.18,0.09,C8H11NO3,1,12,4,0.25,ACCA,Reference,1.0,4.0,3.0,88.0,2.0,-4.68,-50.25,NC[C@H](O)c1ccc(O)c(O)c1
90,ZINC000000000655,2004-07-23,In-Stock,2015-08-07,312.413,2.535,C19H24N2O2,4,23,4,0.58,DFAA,Reference,0.0,0.0,2.0,40.0,1.0,8.65,-8.59,O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3[C@@H]2C1
91,ZINC000000538275,2005-09-29,In-Stock,2015-08-07,473.594,6.075,C28H27NO4S,5,34,6,0.25,JKAA,Reference,1.0,3.0,5.0,71.0,7.0,10.85,-43.92,O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12
92,ZINC000003938704,2005-10-21,In-Stock,2015-08-07,543.525,0.001,C27H29NO11,5,39,12,0.44,KCCA,Reference,1.0,6.0,11.0,207.0,5.0,-1.34,-59.39,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1
93,ZINC000000114124,2005-10-03,In-Stock,2015-08-07,149.215,0.107,C5H11NO2S,0,9,4,0.8,ACEA,Reference,0.0,2.0,3.0,67.0,2.0,1.56,-30.78,CC(C)(S)[C@H](N)C(=O)O
94,ZINC000096006023,2014-03-19,In-Stock,2015-08-08,685.708,1.22,C22H22N8O8PS4+,5,43,21,0.27,KDEB,Reference,-3.0,1.0,17.0,235.0,10.0,6.3,-321.83,CCO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Sc3nc(-c4cc[n+](C)cc4)cs3)CS[C@H]12)c1nsc(NP(=O)(O)O)n1
95,ZINC000000895099,2004-11-08,In-Stock,2015-08-07,117.148,0.054,C5H11NO2,0,8,3,0.8,ACAA,Reference,0.0,1.0,2.0,67.0,2.0,1.66,-38.2,CC(C)[C@H](N)C(=O)O
96,ZINC000002036848,2004-10-11,In-Stock,2015-08-07,376.369,-1.724,C17H20N4O6,3,27,10,0.41,GABA,Reference,-1.0,4.0,9.0,159.0,5.0,-7.35,-72.53,Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C
97,ZINC000035653007,2009-10-10,In-Stock,2015-08-07,373.449,3.891,C20H20FNO3S,4,26,6,0.4,FHAA,Reference,0.0,0.0,5.0,46.0,5.0,11.19,-9.6,CC(=O)Oc1cc2c(s1)CCN([C@H](C(=O)C1CC1)c1ccccc1F)C2
98,ZINC000000004724,2005-09-26,In-Stock,2015-08-07,252.273,2.642,C15H12N2O2,3,19,4,0.07,CFAA,Reference,0.0,1.0,2.0,63.0,0.0,5.92,-13.39,NC(=O)N1c2ccccc2CC(=O)c2ccccc21
99,ZINC000019364219,2008-10-31,In-Stock,2015-08-07,204.314,-0.293,C10H24N2O2,0,14,4,1.0,BBAA,Reference,1.0,4.0,3.0,69.0,9.0,-2.37,-34.75,CC[C@@H](CO)NCCN[C@@H](CC)CO
100,ZINC000003978028,2005-10-28,In-Stock,2015-08-07,424.991,0.39,C18H33ClN2O5S,2,27,9,0.94,HCGA,,,,,,,,,CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1
101,ZINC000003860453,2005-10-03,In-Stock,2015-08-07,332.311,3.666,C20H12O5,5,25,5,0.05,EHAA,Reference,0.0,2.0,5.0,75.0,0.0,5.22,-12.17,O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccccc21
102,ZINC000148723177,2015-08-08,In-Stock,2016-03-01,584.105,5.09,C29H39ClN7O2P,5,40,11,0.45,KKAA,Reference,1.0,3.0,8.0,87.0,8.0,12.66,-47.08,COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1
103,ZINC000111460375,2015-08-08,In-Stock,2017-12-05,562.706,4.24,C28H34O8S2,5,38,10,0.57,KIEB,,,,,,,,,CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)O)C(=O)/C2=C/c1ccc(/C=C2\C(=O)[C@@]3(CS(=O)(=O)O)CC[C@H]2C3(C)C)cc1
104,ZINC000003918453,2005-10-18,In-Stock,2015-08-07,475.523,0.941,C22H25N3O7S,4,33,11,0.45,JCAA,Reference,-1.0,3.0,8.0,166.0,7.0,3.13,-143.05,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)Nc4cccc(C(=O)O)c4)C3)[C@H](C)[C@H]12
105,ZINC000004097308,2005-11-07,In-Stock,2015-08-07,436.52,2.499,C24H33FO6,5,31,7,0.83,IEEA,Reference,0.0,2.0,6.0,93.0,2.0,5.8,-12.92,CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1
106,ZINC000000113415,2005-09-30,In-Stock,2015-08-07,266.341,0.452,C14H22N2O3,1,19,5,0.5,CCAA,Reference,1.0,3.0,3.0,89.0,8.0,0.62,-46.55,CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1
107,ZINC000000622123,2004-07-25,In-Stock,2015-08-07,352.77,2.81,C17H17ClO6,3,24,7,0.41,FFEA,Reference,0.0,0.0,6.0,71.0,3.0,4.79,-12.92,COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O
108,ZINC000000057254,2005-09-30,In-Stock,2015-08-07,289.806,3.528,C17H20ClNO,2,20,3,0.29,CHAA,Reference,1.0,2.0,1.0,24.0,5.0,8.63,-42.05,CN(C)CC[C@](O)(c1ccccc1)c1ccccc1Cl
109,ZINC000022010387,2008-12-11,In-Stock,2015-08-07,191.274,2.078,C12H17NO,2,14,2,0.5,AEAA,Reference,0.0,0.0,2.0,12.0,1.0,4.12,-3.44,C[C@H]1[C@H](c2ccccc2)OCCN1C
110,ZINC000001530764,2004-10-06,In-Stock,2015-08-07,263.384,4.302,C19H21N,3,20,1,0.26,CIAA,Reference,1.0,1.0,0.0,16.0,4.0,10.6,-38.34,CNCCCC1c2ccccc2C=Cc2ccccc21
111,ZINC000003805768,2005-09-26,In-Stock,2015-08-07,468.594,3.31,C27H36N2O5,4,34,7,0.52,JGAA,Reference,1.0,1.0,5.0,61.0,10.0,11.92,-55.76,COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@H]1Cc3cc(OC)c(OC)cc31)CC2
112,ZINC000003816514,2005-09-29,In-Stock,2015-08-07,500.483,5.73,C25H26F6N2O2,4,35,10,0.48,KKAA,Reference,1.0,2.0,2.0,54.0,5.0,11.16,-59.15,C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
113,ZINC000003794601,2005-09-26,In-Stock,2015-08-07,324.399,3.813,C20H21FN2O,3,24,4,0.35,DHEA,Reference,1.0,1.0,2.0,37.0,5.0,11.29,-44.5,CN(C)CCC[C@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21
114,ZINC000004097426,2005-11-07,In-Stock,2015-08-07,207.226,-3.262,C8H17NO5,1,14,6,1.0,BAAA,Reference,1.0,6.0,5.0,105.0,3.0,-9.08,-33.17,OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
115,ZINC000001552908,2004-10-06,In-Stock,2015-08-07,411.586,5.381,C26H37NO3,2,30,4,0.5,HKAA,Reference,1.0,2.0,3.0,50.0,10.0,13.02,-34.12,CC(C)C(=O)Oc1ccc(CO)cc1[C@H](CCN(C(C)C)C(C)C)c1ccccc1
116,ZINC000001530621,2004-10-06,In-Stock,2015-08-07,324.449,0.612,C10H16N2O4S3,2,19,9,0.6,DCAA,Reference,0.0,2.0,6.0,106.0,3.0,-3.5,-18.42,CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
117,ZINC000019203912,2008-10-28,In-Stock,2015-08-07,437.531,4.308,C22H26F3N3OS,4,30,8,0.45,IIAA,Reference,1.0,2.0,4.0,31.0,6.0,8.89,-36.56,OCCN1CCN(CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
118,ZINC000000968375,2004-08-06,In-Stock,2016-02-17,312.453,3.883,C21H28O2,4,23,2,0.76,DHAA,Reference,0.0,1.0,2.0,37.0,1.0,8.01,-8.41,C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]21CC
119,ZINC000003800706,2005-09-26,In-Stock,2015-08-07,324.399,3.813,C20H21FN2O,3,24,4,0.35,DHEA,Reference,1.0,1.0,2.0,37.0,5.0,11.3,-42.78,CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21
120,ZINC000000601301,2004-07-24,In-Stock,2015-08-07,421.422,1.625,C15H14F3N3O4S2,3,27,12,0.2,HDAA,Reference,0.0,3.0,5.0,118.0,3.0,-0.46,-17.94,NS(=O)(=O)c1cc2c(cc1C(F)(F)F)N[C@@H](Cc1ccccc1)NS2(=O)=O
121,ZINC000012468792,2008-05-16,In-Stock,2015-08-07,432.601,4.186,C26H40O5,2,31,5,0.65,IIAA,Reference,0.0,3.0,5.0,86.0,13.0,8.48,-10.37,CC(C)OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1
122,ZINC000100013500,2015-08-08,In-Stock,2015-08-08,517.776,5.251,C30H47NO4S,5,36,6,0.87,KKEA,Reference,1.0,2.0,5.0,68.0,5.0,13.23,-40.49,C=C[C@]1(C)C[C@@H](OC(=O)CS[C@H]2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O
123,ZINC000012503151,2008-05-16,In-Stock,2015-08-07,236.278,-1.424,C5H8N4O3S2,1,14,9,0.4,BAAA,Reference,0.0,1.0,6.0,107.0,1.0,-4.29,-12.65,CC(=O)/N=c1\sc(S(N)(=O)=O)nn1C
124,ZINC000014879975,2008-07-16,Annotated,2017-05-13,602.501,-4.811,C10H18O21S4,2,35,25,1.0,KAAF,,,,,,,,,O=S(=O)(O)O[C@H]1[C@H](O)CO[C@@H](O[C@@H]2CO[C@@H](O)[C@H](OS(=O)(=O)O)[C@H]2OS(=O)(=O)O)[C@@H]1OS(=O)(=O)O
125,ZINC000000113442,2004-07-23,In-Stock,2015-08-07,171.156,0.092,C6H9N3O3,1,12,6,0.5,ACBA,Reference,0.0,1.0,5.0,81.0,3.0,2.6,-8.62,Cc1ncc([N+](=O)[O-])n1CCO
126,ZINC000003931840,2005-10-20,In-Stock,2015-08-07,517.776,5.251,C30H47NO4S,5,36,6,0.87,KKEB,Reference,1.0,2.0,5.0,68.0,5.0,12.37,-39.61,C=C[C@]1(C)C[C@@H](OC(=O)CSC2C[C@@H]3CC[C@H](C2)N3C)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O
127,ZINC000000105216,2005-09-26,In-Stock,2015-08-07,230.263,3.037,C14H14O3,2,17,3,0.21,BGAA,Reference,-1.0,0.0,3.0,49.0,3.0,7.87,-47.9,COc1ccc2cc([C@H](C)C(=O)O)ccc2c1
128,ZINC000001530637,2004-10-06,In-Stock,2015-08-07,309.331,4.435,C17H18F3NO,2,22,5,0.29,DIAA,Reference,1.0,1.0,1.0,25.0,6.0,9.47,-44.22,CNCC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1
129,ZINC000087515509,2013-03-20,In-Stock,2015-08-08,268.273,-2.708,C11H16N4O4,2,19,8,0.64,CAAA,Reference,0.0,2.0,6.0,98.0,3.0,-4.96,-18.93,C[C@@H](CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1
130,ZINC000000601317,2004-07-24,In-Stock,2015-08-07,424.544,5.005,C28H28N2O2,4,32,4,0.29,HKEB,Reference,0.0,1.0,3.0,68.0,7.0,16.31,-59.81,N#CC(CCN1CCC(C(=O)O)(c2ccccc2)CC1)(c1ccccc1)c1ccccc1
131,ZINC000252286878,2016-02-05,In-Stock,2016-02-26,926.107,0.778,C47H75NO17,2,65,18,0.68,KCAB,,,,,,,,,C[C@H]1[C@@H](O)[C@H](C)/C=C/C=C/CC/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C[C@H](O)[C@H](C(=O)O)[C@H](O)CC(=O)C[C@H](O)[C@H](O)CC[C@H](O)C[C@H](O)C[C@H](O)CC(=O)O[C@@H]1C
132,ZINC000002847375,2004-11-04,In-Stock,2015-08-07,205.301,2.6,C13H19NO,1,15,2,0.46,BFAA,Reference,1.0,1.0,1.0,21.0,5.0,7.85,-32.76,CCN(CC)[C@H](C)C(=O)c1ccccc1
133,ZINC000003917708,2005-10-18,In-Stock,2015-08-07,527.526,1.029,C27H29NO10,5,38,11,0.44,KDCA,Reference,1.0,5.0,10.0,187.0,4.0,1.23,-55.88,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1
134,ZINC000003920355,2005-10-19,In-Stock,2015-08-07,563.672,6.121,C30H46NO7P,3,39,9,0.7,KKAA,Reference,-1.0,0.0,7.0,113.0,14.0,17.79,-57.2,CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)O)C(C)C
135,ZINC000001530725,2004-10-06,In-Stock,2015-08-07,320.046,5.929,C14H10Cl4,2,18,4,0.14,DKGA,Reference,0.0,0.0,0.0,0.0,3.0,10.88,-3.18,Clc1ccc([C@H](c2ccccc2Cl)C(Cl)Cl)cc1
136,ZINC000000896709,2005-09-30,In-Stock,2015-08-07,233.311,2.085,C14H19NO2,2,17,3,0.5,BEAA,Reference,1.0,1.0,2.0,42.0,3.0,7.36,-38.64,COC(=O)[C@@H](c1ccccc1)[C@H]1CCCCN1
137,ZINC000003799072,2005-09-26,In-Stock,2015-08-07,415.574,4.107,C25H37NO4,2,30,5,0.52,HIAA,Reference,1.0,4.0,4.0,86.0,16.0,6.19,-46.91,OCc1cc([C@@H](O)CNCCCCCCOCCCCc2ccccc2)ccc1O
138,ZINC000004097467,2005-11-07,In-Stock,2015-08-07,384.516,4.575,C24H32O4,4,28,4,0.71,GJEA,Reference,0.0,0.0,4.0,60.0,2.0,11.73,-15.46,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
139,ZINC000001530660,2004-10-06,In-Stock,2015-08-07,261.089,1.884,C7H15Cl2N2O2P,1,14,7,1.0,CDGA,,,,,,,,,O=[P@]1(NCCCl)OCCCN1CCCl
140,ZINC000100052688,2015-08-08,Annotated,2016-03-05,478.629,4.883,C30H38O5,3,35,5,0.53,JJEF,,,,,,,,,CC#CC[C@@H](C)[C@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@H]2C/C(=C/CCCC(=O)OCC(=O)c3ccccc3)C[C@H]21
141,ZINC000169621215,2015-08-08,In-Stock,2016-02-28,847.019,4.616,C46H62N4O11,6,61,15,0.59,KJEA,,,,,,,,,CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=NC3(CCN(CC(C)C)CC3)NC2=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O
142,ZINC000004393164,2005-11-26,In-Stock,2015-08-07,551.769,3.294,C30H53N3O6,1,39,9,0.73,KGAA,Reference,1.0,4.0,6.0,147.0,19.0,5.53,-70.61,COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC
143,ZINC000000018087,2005-09-26,In-Stock,2015-08-07,335.473,2.198,C17H25N3O2S,3,23,6,0.53,EEAA,Reference,1.0,2.0,2.0,57.0,6.0,7.18,-44.96,CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12
144,ZINC000008220878,2006-07-04,In-Stock,2015-08-07,384.586,4.164,C20H36N2O3S,1,26,6,0.7,GIEA,Reference,1.0,3.0,3.0,70.0,14.0,7.64,-44.6,CCCCCCCN(CC)CCC[C@H](O)c1ccc(NS(C)(=O)=O)cc1
145,ZINC000247651495,2016-02-05,In-Stock,2016-02-25,216.282,-3.745,H4O8Si3,0,11,11,0.0,BAGA,,,,,,,,,O=[Si](O)O[Si](O)(O)O[Si](=O)O
146,ZINC000011681563,2008-03-03,In-Stock,2015-08-07,578.601,6.787,C30H32F6N4O,4,41,11,0.4,KKAA,Reference,1.0,1.0,3.0,40.0,5.0,16.6,-41.03,Cc1ccccc1-c1cc(N2CCN(C)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
147,ZINC000000004319,2005-09-26,In-Stock,2015-08-07,328.412,2.135,C19H24N2O3,2,24,5,0.32,EEAA,Reference,1.0,4.0,3.0,100.0,8.0,3.45,-59.79,C[C@H](CCc1ccccc1)NC[C@H](O)c1ccc(O)c(C(N)=O)c1
148,ZINC000001552174,2004-10-06,In-Stock,2015-08-07,369.469,3.465,C20H27N5O2,4,27,7,0.6,FGAA,Reference,0.0,1.0,6.0,81.0,7.0,8.69,-16.44,O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1
149,ZINC000036294079,2009-10-25,In-Stock,2015-08-07,237.73,2.898,C13H16ClNO,2,16,3,0.46,BFAA,Reference,0.0,1.0,2.0,29.0,2.0,5.44,-6.17,CN[C@@]1(c2ccccc2Cl)CCCCC1=O
150,ZINC000000057147,2004-07-23,In-Stock,2015-08-07,254.246,-2.213,C10H14N4O4,2,18,8,0.5,CAAA,Reference,0.0,2.0,8.0,102.0,3.0,0.18,-17.26,Cn1c(=O)c2c(ncn2C[C@@H](O)CO)n(C)c1=O
151,ZINC000150601177,2015-08-08,In-Stock,2016-03-04,894.127,7.687,C50H67N7O8,6,65,15,0.52,KKAA,,,,,,,,,COC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc([C@@H]2CC[C@@H](c3ccc(NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)OC)C(C)C)cc3)N2c2ccc(C(C)(C)C)cc2)cc1)C(C)C
152,ZINC000100022637,2015-08-08,In-Stock,2016-03-01,602.675,7.326,C31H33F3N2O5S,4,42,11,0.35,KKEB,Reference,-1.0,0.0,6.0,104.0,11.0,13.93,-57.36,CCC[C@@]1(CCc2ccccc2)CC(=O)C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)=C(O)O1
153,ZINC000026985532,2009-02-12,Annotated,2017-05-19,670.855,3.092,C38H50N6O5,5,49,11,0.5,KGAF,Reference,1.0,6.0,6.0,167.0,12.0,8.49,-59.71,CC(C)(C)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1
154,ZINC000011681534,2008-03-03,In-Stock,2015-08-07,405.441,2.364,C22H25F2NO4,4,29,7,0.45,HEAB,Reference,1.0,3.0,4.0,75.0,6.0,5.11,-50.28,O[C@H](CNC[C@@H](O)[C@@H]1CCc2cc(F)ccc2O1)[C@@H]1CCc2cc(F)ccc2O1
155,ZINC000000020241,2005-09-27,In-Stock,2015-08-07,241.29,3.745,C15H15NO2,2,18,3,0.13,BHAA,Reference,-1.0,1.0,3.0,52.0,3.0,8.9,-52.99,Cc1cccc(Nc2ccccc2C(=O)O)c1C
156,ZINC000004074875,2005-11-06,In-Stock,2015-08-07,610.671,6.319,C33H34N6O6,6,45,12,0.33,KKAA,Reference,-1.0,0.0,11.0,141.0,10.0,15.85,-50.42,CCOc1nc2cccc(C(=O)O[C@H](C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
157,ZINC000203686879,2015-08-08,In-Stock,2016-10-10,883.019,7.732,C49H54N8O8,9,65,16,0.39,KKAA,,,,,,,,,COC[C@H]1C[C@@H](c2ncc(-c3ccc4c(c3)COc3cc5c(ccc6[nH]c([C@@H]7CC[C@H](C)N7C(=O)[C@@H](NC(=O)OC)C(C)C)nc65)cc3-4)[nH]2)N(C(=O)[C@H](NC(=O)OC)c2ccccc2)C1
158,ZINC000095619100,2014-01-17,In-Stock,2015-08-08,427.545,2.308,C24H33N3O4,3,31,7,0.46,IEAA,Reference,0.0,2.0,6.0,74.0,9.0,4.61,-14.49,COc1ccccc1OC[C@@H](O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1
159,ZINC000003812869,2005-09-27,In-Stock,2015-08-07,367.814,0.621,C15H14ClN3O4S,3,24,9,0.27,FCAA,Reference,-1.0,2.0,6.0,115.0,4.0,4.31,-58.39,N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cl)CS[C@H]12)c1ccccc1
160,ZINC000008101126,2006-06-30,In-Stock,2015-08-07,59.072,-1.161,CH5N3,0,4,3,0.0,AAAA,Reference,1.0,3.0,0.0,77.0,0.0,-1.15,-29.72,N=C(N)N
161,ZINC000003929508,2005-10-20,In-Stock,2015-08-07,312.41,1.285,C16H28N2O4,1,22,6,0.75,DDAA,Reference,1.0,2.0,4.0,92.0,7.0,5.84,-62.71,CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1
162,ZINC000095626706,2014-01-20,In-Stock,2015-08-08,325.774,4.324,C18H13ClFN3,4,23,5,0.11,EIAA,Reference,0.0,0.0,3.0,30.0,1.0,9.13,-10.63,Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2
163,ZINC000000537964,2005-10-05,In-Stock,2015-08-07,378.316,4.448,C17H16F6N2O,3,26,9,0.47,GIAA,Reference,1.0,2.0,2.0,49.0,2.0,6.78,-52.4,O[C@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@H]1CCCCN1
164,ZINC000001843047,2005-10-05,In-Stock,2015-08-07,185.183,0.481,C7H11N3O3,1,13,6,0.57,ACBA,Reference,0.0,1.0,5.0,81.0,3.0,3.44,-7.05,Cc1ncc([N+](=O)[O-])n1C[C@H](C)O
165,ZINC000001530973,2005-10-28,In-Stock,2015-08-07,411.785,6.637,C19H17Cl3N2S,3,25,6,0.21,HKAA,Reference,0.0,0.0,3.0,17.0,7.0,15.25,-7.63,Clc1ccc(CC[C@@H](Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1
166,ZINC000000601229,2005-09-30,In-Stock,2015-08-07,381.907,4.298,C22H24ClN3O,4,27,5,0.36,GIAA,Reference,1.0,1.0,3.0,39.0,3.0,12.77,-40.55,CN1CCC[C@@H](n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1
167,ZINC000019796018,2008-11-10,In-Stock,2015-08-07,373.953,4.58,C20H24ClN3S,4,25,5,0.4,FJAA,Reference,1.0,1.0,3.0,10.0,4.0,10.96,-38.0,CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1
168,ZINC000012859773,2008-05-22,In-Stock,2015-08-07,129.167,-1.034,C4H11N5,0,9,5,0.5,AAAA,Reference,2.0,4.0,0.0,92.0,0.0,3.29,-94.07,CN(C)C(=N)NC(=N)N
169,ZINC000003812306,2005-09-27,In-Stock,2015-08-07,498.576,2.584,C27H34N2O7,3,36,9,0.44,JFAA,Reference,-1.0,1.0,8.0,117.0,11.0,12.33,-69.53,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2cc(OC)c(OC)cc2C[C@H]1C(=O)O
170,ZINC000001554274,2004-10-06,In-Stock,2015-08-07,366.428,4.989,C22H18N6,3,28,6,0.09,FJGA,Reference,0.0,2.0,6.0,97.0,5.0,13.89,-12.72,Cc1cc(/C=C/C#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1
171,ZINC000003604264,2004-11-08,In-Stock,2015-08-07,259.265,0.03,C13H13N3O3,3,19,6,0.31,CCAA,Reference,0.0,2.0,4.0,92.0,1.0,0.69,-13.75,Nc1cccc2c1CN([C@@H]1CCC(=O)NC1=O)C2=O
172,ZINC000000033882,2005-10-03,In-Stock,2015-08-07,153.181,0.599,C8H11NO2,1,11,3,0.25,ACCA,Reference,1.0,3.0,2.0,68.0,2.0,-1.62,-51.29,NCCc1ccc(O)c(O)c1
173,ZINC000000020257,2005-09-27,In-Stock,2015-08-07,179.263,2.029,C11H17NO,1,13,2,0.45,AEAA,Reference,1.0,1.0,1.0,36.0,3.0,4.51,-40.78,Cc1cccc(C)c1OC[C@@H](C)N
174,ZINC000013512456,2008-06-21,In-Stock,2015-08-07,270.21,2.999,C12H9F3N2O2,1,19,7,0.17,CFGA,Reference,0.0,1.0,3.0,69.0,3.0,6.77,-17.2,C/C(O)=C(\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1
175,ZINC000003874715,2005-10-05,In-Stock,2015-08-07,414.41,2.409,C22H22O8,5,30,8,0.41,HEAA,Reference,0.0,1.0,8.0,92.0,4.0,5.27,-18.62,COc1cc([C@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC
176,ZINC000035342789,2009-10-06,In-Stock,2015-08-07,273.244,2.545,C14H11NO5,2,20,6,0.07,CFCA,Reference,-1.0,1.0,5.0,103.0,3.0,5.92,-43.3,Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1
177,ZINC000013648755,2008-06-22,In-Stock,2015-08-07,315.417,1.158,C18H25N3O2,6,23,5,0.89,DDEB,Reference,1.0,2.0,3.0,91.0,2.0,3.31,-39.05,N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2
178,ZINC000003831165,2005-09-30,In-Stock,2015-08-07,309.406,0.635,C17H27NO4,2,22,5,0.65,DCAA,Reference,1.0,4.0,4.0,86.0,5.0,-0.43,-42.91,CC(C)(C)NC[C@H](O)COc1cccc2c1C[C@H](O)[C@H](O)C2
179,ZINC000035902489,2009-10-14,In-Stock,2015-08-07,450.345,5.038,C21H22Cl2FN5O,4,30,9,0.33,JKAA,Reference,1.0,2.0,5.0,82.0,5.0,8.6,-52.51,C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl
180,ZINC000003875368,2005-10-05,In-Stock,2015-08-07,238.159,0.073,C8H6N4O5,2,17,9,0.12,BCEA,Reference,0.0,1.0,6.0,118.0,3.0,0.5,-30.41,O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)N1
181,ZINC000011677837,2008-03-03,In-Stock,2015-08-07,459.506,2.7,C25H25N5O4,5,34,9,0.28,JFAA,Reference,0.0,1.0,6.0,110.0,5.0,7.39,-17.11,COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1
182,ZINC000100027531,2015-08-08,In-Stock,2015-08-08,318.393,1.063,C18H24NO4+,4,23,5,0.61,DDBA,,,,,,,,,C[N+]1(C)[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@H]21
183,ZINC000150588351,2015-08-08,In-Stock,2016-03-24,882.035,8.116,C49H55N9O7,9,65,16,0.39,KKAA,,,,,,,,,COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc3c(c2)O[C@@H](c2ccccc2)n2c-3cc3cc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)n4)ccc32)c[nH]1)C(C)C
184,ZINC000000056652,2005-09-30,In-Stock,2015-08-07,211.261,1.129,C11H17NO3,1,15,4,0.45,BDCA,Reference,1.0,4.0,3.0,77.0,4.0,-1.43,-43.19,CC(C)NC[C@H](O)c1ccc(O)c(O)c1
185,ZINC000001530820,2004-10-06,In-Stock,2015-08-07,290.404,0.265,C14H30N2O4+2,0,20,6,0.86,CCBA,Reference,2.0,0.0,4.0,52.0,9.0,12.24,-76.22,C[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)C
186,ZINC000100370145,2015-08-08,In-Stock,2017-12-02,562.706,4.24,C28H34O8S2,5,38,10,0.57,KIEA,,,,,,,,,CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)O)C(=O)/C2=C/c1ccc(/C=C2/C(=O)[C@@]3(CS(=O)(=O)O)CC[C@H]2C3(C)C)cc1
187,ZINC000000000931,2005-09-27,In-Stock,2015-08-07,313.788,3.429,C17H16ClN3O,4,22,5,0.24,DGAA,Reference,0.0,1.0,3.0,41.0,0.0,6.73,-8.34,Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2
188,ZINC000199517773,2015-08-08,In-Stock,2017-06-20,297.141,0.449,C12H16BNO5S,2,20,8,0.5,CCAA,,,,,,,,,O=C(O)C[C@@H]1CC[C@H](NC(=O)Cc2cccs2)B(O)O1
189,ZINC000008214625,2006-07-04,In-Stock,2015-08-07,227.085,-1.02,C3H5N3O9,0,15,12,1.0,BAAA,Reference,0.0,0.0,9.0,157.0,8.0,7.34,-8.79,O=[N+]([O-])OCC(CO[N+](=O)[O-])O[N+](=O)[O-]
190,ZINC000003830959,2005-09-30,In-Stock,2015-08-07,791.115,-0.407,C18H24I3N3O8,1,32,14,0.5,KBAA,Reference,0.0,6.0,8.0,168.0,11.0,-3.6,-19.2,COCC(=O)Nc1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)N(C)C[C@H](O)CO)c1I
191,ZINC000000057278,2005-09-30,In-Stock,2015-08-07,301.386,2.957,C18H23NO3,2,22,4,0.33,DFCA,Reference,1.0,4.0,3.0,77.0,7.0,3.37,-54.88,C[C@@H](CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
192,ZINC000000402909,2005-09-30,In-Stock,2015-08-07,242.274,3.667,C15H14O3,2,18,3,0.13,BHAA,Reference,-1.0,0.0,3.0,49.0,4.0,9.32,-47.82,C[C@@H](C(=O)O)c1cccc(Oc2ccccc2)c1
193,ZINC000118913560,2015-08-08,Annotated,2017-05-12,488.577,3.699,C27H36O8,4,35,8,0.7,JHEF,,,,,,,,,CCOC(=O)O[C@@]1(C(=O)COC(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
194,ZINC000001996784,2005-10-20,In-Stock,2015-08-07,396.516,2.772,C21H24N4O2S,3,28,7,0.24,GFAA,Reference,1.0,4.0,5.0,104.0,9.0,5.6,-55.16,Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](O)c3ccccc3)cc2)cs1
195,ZINC000100004343,2015-08-08,In-Stock,2015-08-08,528.951,9.152,C30H32Cl3NO,4,35,5,0.33,KKAA,Reference,1.0,2.0,1.0,24.0,10.0,18.16,-44.61,CCCCN(CCCC)C[C@H](O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1/C2=C/c1ccc(Cl)cc1
196,ZINC000043207238,2010-05-09,In-Stock,2015-08-07,444.524,2.968,C24H25FO5S,4,31,7,0.33,IFAA,Reference,0.0,4.0,6.0,90.0,5.0,2.77,-11.16,Cc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1
197,ZINC000238809665,2016-02-02,In-Stock,2016-02-16,929.161,8.066,C53H72N2O12+2,6,67,14,0.51,KKBA,,,,,,,,,COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCC(=O)OCCCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC
198,ZINC000003813042,2005-09-27,In-Stock,2015-08-07,222.251,-0.856,C4H6N4O3S2,1,13,9,0.25,BBAA,Reference,0.0,2.0,6.0,115.0,2.0,-4.39,-20.84,CC(=O)Nc1nnc(S(N)(=O)=O)s1
199,ZINC000000403533,2005-09-27,In-Stock,2015-08-07,315.369,1.048,C18H21NO4,5,23,5,0.61,DDAA,Reference,1.0,2.0,4.0,60.0,1.0,5.02,-60.81,COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(C)CC[C@]314
200,ZINC000242648948,2016-02-03,In-Stock,2016-02-16,96.114,-2.609,H4O4Si,0,5,5,0.0,AAGA,,,,,,,,,O[Si](O)(O)O
201,ZINC000238809664,2016-02-02,In-Stock,2016-02-16,929.161,8.066,C53H72N2O12+2,6,67,14,0.51,KKBA,,,,,,,,,COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCC(=O)OCCCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC
202,ZINC000003871541,2005-10-04,In-Stock,2015-08-07,256.092,2.117,C10H7Cl2N3O,3,16,6,0.2,CEAA,Reference,0.0,1.0,3.0,44.0,0.0,5.22,-12.0,O=C1CN2Cc3c(ccc(Cl)c3Cl)NC2=N1
203,ZINC000003812983,2005-09-27,In-Stock,2015-08-07,285.343,1.198,C17H19NO3,5,21,4,0.53,CDAA,Reference,1.0,3.0,3.0,54.0,0.0,3.45,-49.0,CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5
204,ZINC000003830958,2005-09-30,In-Stock,2015-08-07,791.115,-0.407,C18H24I3N3O8,1,32,14,0.5,KBAA,Reference,0.0,6.0,8.0,168.0,11.0,-4.26,-21.18,COCC(=O)Nc1c(I)c(C(=O)NC[C@H](O)CO)c(I)c(C(=O)N(C)C[C@@H](O)CO)c1I
205,ZINC000022056030,2008-12-12,In-Stock,2015-08-07,187.286,2.183,C13H17N,1,14,1,0.38,AEEA,Reference,1.0,1.0,0.0,4.0,4.0,8.79,-34.95,C#CCN(C)[C@@H](C)Cc1ccccc1
206,ZINC000085432544,2013-02-17,In-Stock,2016-03-01,810.989,3.991,C46H58N4O9,9,59,13,0.59,KHAA,Reference,2.0,5.0,10.0,156.0,7.0,16.76,-98.95,CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1
207,ZINC000004228257,2005-11-15,In-Stock,2015-08-07,241.251,-1.7,C9H15N5O3,2,17,8,0.56,BAAA,Reference,0.0,6.0,7.0,136.0,2.0,-5.39,-20.06,C[C@H](O)[C@@H](O)[C@@H]1CNc2nc(N)[nH]c(=O)c2N1
208,ZINC000100378061,2015-08-08,For-Sale,2017-06-21,570.646,3.48,C32H34N4O6,8,42,10,0.47,KGAE,Reference,1.0,4.0,8.0,139.0,6.0,6.81,-63.51,CC(C)(NC(=O)C1=C(O)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)C1)c1nc(-c2ccccc2)no1
209,ZINC000003651680,2004-11-09,In-Stock,2015-08-07,212.249,0.795,C10H16N2O3,1,15,5,0.7,BCAA,Reference,0.0,2.0,3.0,75.0,3.0,0.43,-4.98,CC[C@@H](C)C1(CC)C(=O)NC(=O)NC1=O
210,ZINC000001530572,2004-10-06,In-Stock,2015-08-07,246.306,-0.281,C6H14O6S2,0,14,8,1.0,BBEA,Reference,0.0,0.0,6.0,86.0,7.0,-1.21,-22.89,CS(=O)(=O)OCCCCOS(C)(=O)=O
211,ZINC000000901555,2004-07-28,In-Stock,2015-08-07,124.23,0.207,C3H8OS2,0,6,3,1.0,ACEA,Reference,0.0,3.0,3.0,20.0,2.0,-0.01,-4.22,OC[C@@H](S)CS
212,ZINC000000056653,2005-09-30,In-Stock,2015-08-07,211.261,1.129,C11H17NO3,1,15,4,0.45,BDCA,Reference,1.0,4.0,3.0,77.0,4.0,-1.49,-44.65,CC(C)NC[C@@H](O)c1ccc(O)c(O)c1
213,ZINC000018115268,2008-10-01,In-Stock,2015-08-07,252.347,0.597,C10H16N6S,1,17,7,0.5,CCEA,Reference,0.0,3.0,4.0,88.0,5.0,8.34,-14.29,CN/C(=N\C#N)NCCSCc1nc[nH]c1C
214,ZINC000003798064,2005-09-26,In-Stock,2015-08-07,285.691,-0.297,C10H12ClN5O3,3,19,9,0.5,CBAA,Reference,0.0,3.0,8.0,119.0,2.0,-2.49,-11.29,Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1
215,ZINC000003978005,2005-10-28,In-Stock,2015-08-07,583.689,2.081,C33H37N5O5,8,43,10,0.48,KEAA,Reference,1.0,4.0,5.0,119.0,4.0,9.01,-64.83,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
216,ZINC000001576892,2004-10-07,In-Stock,2015-08-07,194.274,3.221,C12H18O2,1,14,2,0.5,AGAA,Reference,0.0,2.0,2.0,40.0,5.0,3.4,-4.94,CCCCCCc1ccc(O)cc1O
217,ZINC000004658557,2005-12-22,In-Stock,2015-08-07,76.051,-0.937,C2H4O3,0,5,3,0.5,ABAA,Reference,-1.0,1.0,3.0,60.0,1.0,-0.47,-45.53,O=C(O)CO
218,ZINC000000897089,2005-10-05,In-Stock,2015-08-07,378.316,4.448,C17H16F6N2O,3,26,9,0.47,GIAA,Reference,1.0,2.0,2.0,49.0,2.0,6.44,-60.16,O[C@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@@H]1CCCCN1
219,ZINC000000896698,2005-09-30,In-Stock,2015-08-07,277.408,3.036,C17H27NO2,2,20,3,0.65,CGAA,Reference,1.0,2.0,2.0,33.0,5.0,7.32,-35.93,COc1ccc([C@H](CN(C)C)C2(O)CCCCC2)cc1
220,ZINC000003813003,2005-09-27,In-Stock,2015-08-07,315.716,3.038,C15H10ClN3O3,3,22,7,0.07,DGBA,Reference,0.0,1.0,4.0,84.0,2.0,5.74,-10.81,O=C1CN=C(c2ccccc2Cl)c2cc([N+](=O)[O-])ccc2N1
221,ZINC000001538857,2004-10-06,In-Stock,2015-08-07,551.625,4.204,C27H29N5O6S,4,39,12,0.26,KIAA,Low pH (6.4),-1.0,1.0,10.0,147.0,10.0,5.98,-73.07,COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO
222,ZINC000022447798,2008-12-16,In-Stock,2015-08-07,507.541,-3.329,C20H37N5O10,0,35,15,0.75,KAAB,Reference,-2.0,3.0,12.0,207.0,22.0,1.06,-122.94,COCCNC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)NCCOC)CC(=O)O)CC(=O)O
223,ZINC000000056645,2005-09-30,In-Stock,2015-08-07,248.326,1.906,C14H20N2O2,2,18,4,0.43,BDAA,Reference,1.0,3.0,2.0,61.0,6.0,3.19,-42.84,CC(C)NC[C@H](O)COc1cccc2[nH]ccc12
224,ZINC000013831141,2008-06-26,In-Stock,2015-08-07,254.373,4.404,C18H22O,3,19,1,0.5,CIEA,Reference,0.0,0.0,1.0,17.0,1.0,10.21,-6.69,Cc1ccc(/C=C2/C(=O)[C@]3(C)CC[C@H]2C3(C)C)cc1
225,ZINC000003830276,2005-09-30,In-Stock,2015-08-07,603.75,2.835,C30H53NO11,1,42,12,0.77,KFAA,Reference,0.0,1.0,12.0,121.0,32.0,9.03,-20.63,CCCCNc1ccc(C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC)cc1
226,ZINC000000607939,2004-07-24,In-Stock,2015-08-07,371.393,2.582,C19H21N3O5,3,27,8,0.37,FFAA,Reference,0.0,1.0,8.0,103.0,4.0,9.16,-18.96,COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@H]1c1cccc2nonc12
227,ZINC000000020240,2005-09-27,In-Stock,2015-08-07,259.349,2.578,C16H21NO2,2,19,3,0.38,CFAA,Reference,1.0,2.0,2.0,46.0,6.0,5.45,-42.28,CC(C)NC[C@@H](O)COc1cccc2ccccc12
228,ZINC000004978673,2006-01-13,In-Stock,2015-08-07,284.484,6.333,C18H36O2,0,20,2,0.94,CKEA,Reference,-1.0,0.0,2.0,40.0,16.0,14.55,-43.2,CCCCCCCCCCCCCCCCCC(=O)O
229,ZINC000002005305,2004-10-10,In-Stock,2015-08-07,459.463,-0.258,C20H25N7O6,3,33,13,0.35,JBAA,Reference,-2.0,5.0,11.0,208.0,9.0,4.74,-138.05,CN1c2c(nc(N)[nH]c2=O)NC[C@@H]1CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1
230,ZINC000169677008,2015-08-08,In-Stock,2016-02-28,958.24,6.197,C53H83NO14,4,68,15,0.75,KKAA,,,,,,,,,CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCO)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
231,ZINC000019364222,2008-10-31,In-Stock,2015-08-07,374.912,3.056,C21H27ClN2O2,3,26,5,0.43,FGAA,Reference,0.0,1.0,4.0,35.0,8.0,5.97,-5.36,OCCOCCN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1
232,ZINC000095619101,2014-01-17,In-Stock,2015-08-08,427.545,2.308,C24H33N3O4,3,31,7,0.46,IEAA,Reference,0.0,2.0,6.0,74.0,9.0,4.6,-16.43,COc1ccccc1OC[C@H](O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1
233,ZINC000008101127,2006-06-30,In-Stock,2015-08-07,754.007,9.056,C43H49N2O6S2+,6,53,10,0.33,KKAA,Reference,-1.0,0.0,7.0,120.0,14.0,18.29,-91.07,CC1(C)C(C=C/C=C\C=C/C=C2/N(CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)=[N+](CCCCS(=O)(=O)O)c2ccc3ccccc3c21
234,ZINC000001996117,2004-10-10,In-Stock,2015-08-07,426.56,3.958,C28H30N2O2,5,32,4,0.32,IHAA,Reference,1.0,2.0,2.0,56.0,7.0,11.54,-55.9,NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCc2ccc3c(c2)CCO3)C1
235,ZINC000096006018,2014-03-19,For-Sale,2016-03-01,914.187,6.181,C51H79NO13,4,65,14,0.75,KKAE,,,,,,,,,CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
236,ZINC000013818943,2008-06-26,In-Stock,2015-08-07,390.36,-2.435,C15H18N8O5,4,28,13,0.4,GAAA,Reference,0.0,5.0,12.0,186.0,4.0,-3.27,-24.32,CNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1
237,ZINC000000035804,2005-09-26,In-Stock,2015-08-07,330.749,1.891,C12H11ClN2O5S,2,21,9,0.08,EDAA,Reference,-1.0,2.0,6.0,125.0,5.0,1.56,-51.01,NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl
238,ZINC000222731806,2015-08-08,In-Stock,2016-02-25,473.381,4.293,C19H17F6N7O,3,33,14,0.32,JIAA,Reference,0.0,3.0,8.0,108.0,6.0,9.72,-13.56,CC(C)(O)CNc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2cccc(C(F)(F)F)n2)n1
239,ZINC000087496429,2013-03-20,Annotated,2015-08-08,778.947,4.754,C45H54N4O8,9,57,12,0.53,KJAF,,,,,,,,,CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2
240,ZINC000000057146,2004-07-23,In-Stock,2015-08-07,254.246,-2.213,C10H14N4O4,2,18,8,0.5,CAAA,Reference,0.0,2.0,8.0,102.0,3.0,1.4,-15.34,Cn1c(=O)c2c(ncn2C[C@H](O)CO)n(C)c1=O
241,ZINC000000120319,2004-07-23,In-Stock,2015-08-07,250.283,0.86,C10H10N4O2S,2,17,7,0.0,CCAA,Reference,-1.0,1.0,5.0,100.0,3.0,2.0,-53.69,Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
242,ZINC000003831430,2005-09-30,In-Stock,2015-08-07,179.307,2.55,C12H21N,4,13,1,1.0,AFAA,Reference,1.0,1.0,0.0,27.0,1.0,5.0,-43.13,C[C@@H](N)C12CC3CC(CC(C3)C1)C2
243,ZINC000011679756,2008-03-03,In-Stock,2015-08-07,442.475,4.565,C25H22N4O4,4,33,8,0.12,IJEA,Reference,-2.0,1.0,7.0,121.0,5.0,10.23,-101.0,CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\Nc1cccc(-c2cccc(C(=O)O)c2)c1O
244,ZINC000018089317,2008-10-01,In-Stock,2015-08-07,236.136,-1.062,C6H8N2O8,2,16,10,1.0,BAAA,Reference,0.0,0.0,8.0,123.0,4.0,4.43,-6.57,O=[N+]([O-])O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O[N+](=O)[O-]
245,ZINC000004654889,2005-12-21,Annotated,2018-10-15,390.467,4.31,C20H32F2O5,2,27,7,0.9,GIAF,,,,,,,,,CCCCC(F)(F)[C@@]1(O)CC[C@@H]2[C@H](CCCCCCC(=O)O)C(=O)C[C@H]2O1
246,ZINC000000004949,2004-07-23,In-Stock,2015-08-07,171.24,1.37,C9H17NO2,1,12,3,0.89,ADAA,Reference,0.0,1.0,2.0,67.0,3.0,3.59,-56.04,NCC1(CC(=O)O)CCCCC1
247,ZINC000003818726,2005-09-29,In-Stock,2015-08-07,318.354,2.006,C15H14N2O4S,2,22,7,0.0,DEEA,Reference,0.0,3.0,4.0,95.0,5.0,2.55,-20.84,O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NO
248,ZINC000000006427,2005-09-27,In-Stock,2015-08-07,284.746,3.154,C16H13ClN2O,3,20,4,0.12,CGAA,Reference,0.0,0.0,2.0,32.0,1.0,6.93,-8.29,CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21
249,ZINC000034089131,2009-08-10,In-Stock,2016-03-01,433.592,4.972,C28H35NO3,5,32,4,0.57,IJAA,Reference,0.0,1.0,4.0,57.0,3.0,10.59,-12.06,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C
250,ZINC000022116608,2008-12-12,In-Stock,2015-08-07,305.761,2.734,C16H16ClNO3,3,21,5,0.25,DFCA,Reference,1.0,4.0,3.0,77.0,1.0,0.97,-54.48,Oc1ccc([C@@H]2CNCCc3c2cc(O)c(O)c3Cl)cc1
251,ZINC000003806104,2005-09-26,In-Stock,2015-08-07,440.606,2.95,C22H36N2O5S,2,30,8,0.68,IFAA,Reference,0.0,2.0,5.0,112.0,14.0,8.63,-70.72,CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O
252,ZINC000018516586,2008-10-08,In-Stock,2015-08-07,456.572,2.717,C22H28N6O3S,4,32,10,0.36,JFAA,Reference,0.0,3.0,6.0,110.0,6.0,4.74,-16.39,CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1
253,ZINC000003831332,2005-09-30,In-Stock,2015-08-07,450.707,9.158,C31H46O2,2,33,2,0.61,JKEA,Reference,0.0,0.0,2.0,34.0,14.0,19.61,-5.75,CC1=C(C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O
254,ZINC000000897322,2004-07-28,In-Stock,2015-08-07,221.256,1.791,C12H15NO3,2,16,4,0.42,BDAA,Reference,0.0,1.0,3.0,47.0,3.0,3.22,-14.75,Cc1cc(C)cc(OC[C@@H]2CNC(=O)O2)c1
255,ZINC000053084692,2010-11-16,In-Stock,2015-08-07,302.349,2.368,C17H19FN2O2,2,22,5,0.24,DEAA,Reference,1.0,2.0,2.0,68.0,7.0,5.36,-46.79,C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
256,ZINC000000897288,2004-07-28,In-Stock,2015-08-07,82.106,0.718,C4H6N2,1,6,2,0.25,ACAA,Reference,0.0,1.0,1.0,28.0,0.0,1.64,-4.98,Cc1cn[nH]c1
257,ZINC000000601316,2005-09-27,In-Stock,2015-08-07,352.454,2.705,C22H26NO3+,5,26,4,0.41,FFBA,Reference,1.0,1.0,3.0,46.0,4.0,12.17,-35.31,C[N+]12CCC(CC1)[C@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C2
258,ZINC000001532522,2004-10-06,In-Stock,2015-08-07,146.19,-0.473,C6H14N2O2,0,10,4,0.83,ABAA,Reference,1.0,2.0,2.0,95.0,5.0,-0.05,-85.75,NCCCC[C@H](N)C(=O)O
259,ZINC000003813078,2005-11-07,In-Stock,2015-08-07,352.471,3.409,C20H32O5,2,25,5,0.75,FGAA,Reference,-1.0,2.0,5.0,89.0,10.0,7.21,-48.58,CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2O/C(=C\CCCC(=O)O)C[C@@H]21
260,ZINC000030691420,2009-04-01,For-Sale,2015-08-07,408.922,2.021,C22H29ClO5,4,28,6,0.73,HEGE,,,,,,,,,C[C@@H]1C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl
261,ZINC000003008621,2004-11-05,In-Stock,2015-08-07,144.214,2.287,C8H16O2,0,10,2,0.88,AEAA,Reference,-1.0,0.0,2.0,40.0,5.0,6.49,-47.19,CCCC(CCC)C(=O)O
262,ZINC000000601253,2004-07-24,Annotated,2017-04-12,488.577,3.699,C27H36O8,4,35,8,0.7,JHEF,,,,,,,,,CCOC(=O)O[C@@]1(C(=O)COC(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@@]21C
263,ZINC000019419017,2008-11-01,In-Stock,2015-08-07,393.349,-2.685,C14H23N3O10,0,27,13,0.64,GAAA,Reference,-4.0,1.0,12.0,211.0,16.0,5.91,-269.55,O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O
264,ZINC000003824921,2005-09-29,In-Stock,2015-08-07,501.667,5.511,C32H39NO4,4,37,5,0.41,KKAA,Reference,0.0,3.0,4.0,85.0,10.0,14.25,-76.04,CC(C)(C(=O)O)c1ccc([C@@H](O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
265,ZINC000005162311,2006-01-23,In-Stock,2015-08-07,254.289,1.528,C15H14N2O2,2,19,4,0.07,CDAA,Reference,0.0,2.0,3.0,86.0,4.0,3.42,-15.12,NC(=O)Cc1cccc(C(=O)c2ccccc2)c1N
266,ZINC000001530636,2004-10-06,In-Stock,2015-08-07,337.456,-0.158,C8H15N7O2S3,1,20,12,0.38,EBAA,Reference,1.0,6.0,6.0,172.0,7.0,-0.96,-45.29,N=C(N)Nc1nc(CSCCC(=N)NS(N)(=O)=O)cs1
267,ZINC000003802690,2005-09-26,In-Stock,2015-08-07,277.284,-0.828,C12H15N5O3,3,20,8,0.42,CBEA,Reference,0.0,4.0,7.0,130.0,2.0,-0.57,-18.35,C=C1[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C[C@H](O)[C@H]1CO
268,ZINC000000388081,2005-09-30,In-Stock,2015-08-07,111.148,-0.089,C5H9N3,1,8,3,0.4,ABAA,Reference,1.0,2.0,1.0,56.0,2.0,0.85,-42.5,NCCc1cnc[nH]1
269,ZINC000003871701,2005-10-04,In-Stock,2015-08-07,334.397,0.861,C16H18N2O4S,3,23,7,0.44,ECAA,Reference,-1.0,1.0,5.0,89.0,4.0,5.0,-53.28,CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O
270,ZINC000028232755,2009-02-25,Annotated,2017-05-20,723.65,2.462,C34H36F3NO13,5,51,17,0.5,KECF,,,,,,,,,CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](NC(=O)C(F)(F)F)[C@@H](O)[C@@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O
271,ZINC000034220093,2009-08-13,For-Sale,2018-05-27,274.32,3.85,C14H11FN2OS,3,19,5,0.07,CHAE,Reference,0.0,2.0,4.0,45.0,2.0,3.75,-7.51,CNc1ccc(-c2nc3ccc(O)cc3s2)cc1F
272,ZINC000003833821,2005-09-30,In-Stock,2015-08-07,360.45,1.558,C21H28O5,4,26,5,0.71,FDEA,Reference,0.0,3.0,5.0,94.0,2.0,3.14,-16.14,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO
273,ZINC000000057255,2005-09-27,In-Stock,2015-08-07,338.772,0.924,C14H11ClN2O4S,3,22,8,0.07,ECAA,Reference,0.0,3.0,4.0,109.0,2.0,-2.05,-19.3,NS(=O)(=O)c1cc([C@@]2(O)NC(=O)c3ccccc32)ccc1Cl
274,ZINC000004097427,2005-11-07,In-Stock,2015-08-07,610.671,6.319,C33H34N6O6,6,45,12,0.33,KKAA,Reference,-1.0,0.0,11.0,141.0,10.0,15.75,-60.09,CCOc1nc2cccc(C(=O)O[C@@H](C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1
275,ZINC000003875484,2005-10-05,In-Stock,2015-08-07,336.447,3.332,C20H29FO3,4,24,4,0.85,EGEA,Reference,0.0,2.0,3.0,57.0,0.0,5.31,-8.79,C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
276,ZINC000003803652,2005-09-26,In-Stock,2015-08-07,272.09,-1.115,C5H10N2O7P2,1,16,11,0.4,CAAA,High pH (8.4),-4.0,1.0,9.0,164.0,4.0,-1.77,-364.93,O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O
277,ZINC000002522669,2004-10-27,In-Stock,2015-08-07,336.479,4.137,C22H28N2O,3,25,3,0.41,EIAA,Reference,1.0,1.0,1.0,24.0,6.0,12.87,-56.82,CCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1
278,ZINC000004097309,2005-11-07,In-Stock,2015-08-07,563.672,6.121,C30H46NO7P,3,39,9,0.7,KKAA,Reference,-1.0,0.0,7.0,113.0,14.0,18.24,-60.29,CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)O)C(C)C
279,ZINC000000491073,2005-09-26,In-Stock,2015-08-07,287.359,1.85,C17H21NO3,4,21,4,0.53,CDAA,Reference,1.0,2.0,3.0,43.0,1.0,4.73,-50.37,COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CCN(C)C2
280,ZINC000001530948,2004-10-06,In-Stock,2015-08-07,258.233,0.088,C13H10N2O4,3,19,6,0.23,CCAA,Reference,0.0,1.0,4.0,83.0,1.0,2.47,-13.47,O=C1CC[C@@H](N2C(=O)c3ccccc3C2=O)C(=O)N1
281,ZINC000000001931,2005-09-30,In-Stock,2015-08-07,255.361,3.218,C17H21NO,2,19,2,0.29,CGAA,Reference,1.0,1.0,1.0,13.0,6.0,10.74,-38.34,CN(C)CCOc1ccccc1Cc1ccccc1
282,ZINC000003920657,2005-10-19,In-Stock,2016-02-24,475.629,5.543,C30H37NO4,5,35,5,0.57,JKAA,Reference,0.0,0.0,5.0,63.0,4.0,14.41,-16.84,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C
283,ZINC000003875980,2005-10-05,In-Stock,2015-08-07,414.483,2.484,C21H22N2O5S,4,29,8,0.38,HEAA,Reference,-1.0,1.0,6.0,98.0,5.0,6.97,-60.84,CCOc1ccc2ccccc2c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12
284,ZINC000003978029,2005-10-28,In-Stock,2015-08-07,424.991,0.39,C18H33ClN2O5S,2,27,9,0.94,HCGA,,,,,,,,,CCC[C@@H]1C[C@@H](C(=O)N[C@@H]([C@@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1
285,ZINC000000056556,2005-09-30,In-Stock,2015-08-07,259.349,2.578,C16H21NO2,2,19,3,0.38,CFAA,Reference,1.0,2.0,2.0,46.0,6.0,5.47,-42.29,CC(C)NC[C@H](O)COc1cccc2ccccc12
286,ZINC000000113382,2004-07-23,In-Stock,2015-08-07,323.132,0.909,C11H12Cl2N2O5,1,20,9,0.36,DCGA,Reference,0.0,3.0,5.0,112.0,6.0,2.77,-13.6,O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Cl)Cl
287,ZINC000085534336,2013-02-19,In-Stock,2015-08-08,733.937,1.786,C37H67NO13,3,51,14,0.95,KDAA,,,,,,,,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
288,ZINC000001530600,2004-10-06,In-Stock,2015-08-07,279.189,-1.662,C8H14N3O6P,1,18,10,0.5,CAAA,Reference,-1.0,3.0,8.0,150.0,6.0,-4.48,-58.2,Nc1ccn(C[C@@H](CO)OCP(=O)(O)O)c(=O)n1
289,ZINC000000608382,2005-09-30,In-Stock,2015-08-07,391.467,4.411,C24H25NO4,4,29,5,0.33,GIAA,Reference,0.0,0.0,5.0,59.0,5.0,11.83,-11.96,Cc1c(-c2ccccc2)oc2c(C(=O)OCCN3CCCCC3)cccc2c1=O
290,ZINC000003812960,2005-09-27,In-Stock,2015-08-07,184.491,2.353,C3H2ClF5O,0,10,7,1.0,AEGA,,,,,,,,,FC(F)O[C@@H](Cl)C(F)(F)F
291,ZINC000000000711,2004-07-23,In-Stock,2015-08-07,185.183,0.481,C7H11N3O3,1,13,6,0.57,ACBA,Reference,0.0,1.0,5.0,81.0,3.0,4.06,-10.81,Cc1ncc([N+](=O)[O-])n1C[C@@H](C)O
292,ZINC000100035385,2015-08-08,In-Stock,2015-08-08,290.383,2.033,C17H24NO3+,3,21,4,0.59,CEBB,,,,,,,,,C[N+]1(C)[C@H]2CC[C@H]1CC(OC(=O)[C@H](O)c1ccccc1)C2
293,ZINC000001487602,2004-08-19,In-Stock,2015-08-07,92.525,0.624,C3H5ClO,1,5,2,1.0,ACGA,,,,,,,,,ClC[C@@H]1CO1
294,ZINC000000537928,2004-07-24,In-Stock,2015-08-07,477.048,5.088,C29H33ClN2O2,4,34,5,0.34,JKAA,Reference,1.0,2.0,2.0,44.0,7.0,12.72,-51.31,CN(C)C(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1
295,ZINC000000119717,2005-10-03,In-Stock,2015-08-07,210.28,2.384,C14H14N2,3,16,2,0.21,BEAA,Reference,1.0,2.0,1.0,26.0,2.0,6.52,-32.63,c1ccc2c(CC3=NCCN3)cccc2c1
296,ZINC000003914810,2005-10-18,In-Stock,2015-08-07,392.58,4.478,C24H40O4,4,28,4,0.96,GIAA,Reference,-1.0,2.0,4.0,80.0,4.0,7.15,-49.75,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C
297,ZINC000000897251,2005-09-26,In-Stock,2015-08-07,379.5,4.361,C24H29NO3,4,28,4,0.46,GIAA,Reference,1.0,1.0,3.0,39.0,6.0,12.57,-43.12,COc1cc2c(cc1OC)C(=O)[C@H](CC1CCN(Cc3ccccc3)CC1)C2
298,ZINC000003875332,2005-10-05,In-Stock,2015-08-07,392.467,1.896,C22H29FO5,4,28,6,0.73,GDEA,Reference,0.0,3.0,5.0,94.0,2.0,3.84,-16.82,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
299,ZINC000000537752,2005-09-27,In-Stock,2015-08-07,387.886,4.005,C21H23ClFN3O,3,27,6,0.33,GIAA,Reference,1.0,1.0,2.0,37.0,6.0,10.31,-40.3,CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c2cc(Cl)ccc21
300,ZINC000000608101,2004-07-24,In-Stock,2015-08-07,387.719,5.863,C16H13Cl3N2OS,3,23,7,0.19,GKAA,Reference,0.0,0.0,4.0,27.0,6.0,12.14,-6.44,Clc1ccc([C@@H](Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1
301,ZINC000001554392,2004-10-06,In-Stock,2015-08-07,215.293,1.418,C11H21NO3,0,15,4,0.82,BDAA,Reference,1.0,1.0,3.0,71.0,9.0,5.21,-47.73,CCCCCCOC(=O)CCC(=O)CN
302,ZINC000000002055,2004-07-23,In-Stock,2015-08-07,137.138,0.491,C7H7NO2,1,10,3,0.0,ACAA,Reference,0.0,2.0,2.0,63.0,1.0,-0.15,-10.63,NC(=O)c1ccccc1O
303,ZINC000003830391,2005-09-30,In-Stock,2015-08-07,363.395,0.151,C16H17N3O5S,3,25,9,0.31,FCAA,Reference,-1.0,3.0,7.0,135.0,4.0,1.36,-62.58,CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1
304,ZINC000000643153,2004-07-25,In-Stock,2015-08-07,531.44,4.206,C26H28Cl2N4O4,5,36,10,0.38,KICA,Reference,0.0,0.0,7.0,69.0,7.0,11.92,-16.6,CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
305,ZINC000000006016,2004-07-23,In-Stock,2015-08-07,277.408,3.036,C17H27NO2,2,20,3,0.65,CGAA,Reference,1.0,2.0,2.0,33.0,5.0,7.31,-35.93,COc1ccc([C@@H](CN(C)C)C2(O)CCCCC2)cc1
306,ZINC000118912393,2015-08-08,In-Stock,2015-08-08,288.431,3.879,C19H28O2,4,21,2,0.84,CHEA,Reference,0.0,1.0,2.0,37.0,0.0,7.09,-7.13,C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O
307,ZINC000011680943,2008-03-03,In-Stock,2015-08-07,263.385,1.19,C15H25N3O,1,19,4,0.53,CDAA,Reference,2.0,3.0,1.0,84.0,8.0,3.14,-108.95,C[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN
308,ZINC000003977981,2005-10-28,In-Stock,2015-08-07,452.494,2.367,C24H30F2O6,5,32,8,0.75,JEEA,Reference,0.0,2.0,6.0,93.0,2.0,5.59,-20.05,CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1
309,ZINC000118912517,2015-08-08,In-Stock,2015-08-08,376.468,2.923,C22H29FO4,4,27,5,0.73,GFEA,Reference,0.0,2.0,4.0,74.0,1.0,5.83,-12.44,CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
310,ZINC000001633887,2004-10-07,In-Stock,2015-08-07,290.403,4.468,C18H26O3,1,21,3,0.5,CIAA,Reference,0.0,0.0,3.0,35.0,9.0,11.04,-6.04,CCCC[C@@H](CC)COC(=O)/C=C/c1ccc(OC)cc1
311,ZINC000000000746,2005-09-30,In-Stock,2015-08-07,225.288,1.519,C12H19NO3,1,16,4,0.5,BDAA,Reference,1.0,4.0,3.0,77.0,3.0,-1.77,-40.73,CC(C)(C)NC[C@H](O)c1cc(O)cc(O)c1
312,ZINC000000968303,2005-09-27,In-Stock,2015-08-07,178.275,3.639,C12H18O,1,13,1,0.5,AHAA,Reference,0.0,1.0,1.0,20.0,2.0,5.68,-3.08,CC(C)c1cccc(C(C)C)c1O
313,ZINC000000002281,2004-07-23,In-Stock,2015-08-07,225.288,1.519,C12H19NO3,1,16,4,0.5,BDAA,Reference,1.0,4.0,3.0,77.0,3.0,-1.84,-42.37,CC(C)(C)NC[C@@H](O)c1cc(O)cc(O)c1
314,ZINC000007997568,2006-06-27,In-Stock,2015-08-07,238.159,0.073,C8H6N4O5,2,17,9,0.12,BCEA,Reference,0.0,1.0,6.0,118.0,3.0,0.79,-21.84,O=C1CN(/N=C\c2ccc([N+](=O)[O-])o2)C(=O)N1
315,ZINC000000391812,2005-10-03,In-Stock,2015-08-07,162.236,1.848,C10H14N2,2,12,2,0.5,ADAA,Reference,1.0,1.0,1.0,17.0,1.0,5.79,-34.15,CN1CCC[C@H]1c1cccnc1
316,ZINC000000011012,2005-09-30,In-Stock,2015-08-07,255.273,2.291,C15H13NO3,3,19,4,0.2,CEAA,Reference,-1.0,0.0,4.0,62.0,3.0,8.63,-48.4,O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)O
317,ZINC000000897085,2005-09-27,In-Stock,2015-08-07,378.316,4.448,C17H16F6N2O,3,26,9,0.47,GIAA,Reference,1.0,2.0,2.0,49.0,2.0,6.44,-60.11,O[C@@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@H]1CCCCN1
318,ZINC000019632912,2008-11-05,In-Stock,2015-08-07,240.31,2.823,C14H16N4,3,18,4,0.29,BFAA,Reference,0.0,1.0,4.0,56.0,2.0,6.79,-10.64,CC(C)Cn1cnc2c(N)nc3ccccc3c21
319,ZINC000004097283,2005-11-07,Annotated,2017-12-18,406.545,-0.857,C18H34N2O6S,2,27,9,0.94,HBAF,,,,,,,,,CCC[C@@H]1C[C@H](C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1
320,ZINC000016929327,2008-09-11,In-Stock,2015-08-07,228.208,-2.139,C8H12N4O4,2,16,8,0.62,BAAA,Reference,0.0,3.0,8.0,123.0,2.0,-4.31,-20.57,Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1
321,ZINC000001530968,2004-10-06,In-Stock,2015-08-07,406.907,6.609,C13H6Cl6O2,2,21,8,0.08,HKAA,Reference,-1.0,1.0,2.0,43.0,2.0,7.55,-26.72,Oc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl
322,ZINC000003956788,2005-10-25,In-Stock,2015-08-07,307.287,2.229,C12H9N3O5S,2,21,9,0.08,DEBA,Reference,0.0,1.0,7.0,111.0,4.0,7.92,-18.08,CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1
323,ZINC000000083315,2005-09-30,In-Stock,2015-08-07,204.229,1.122,C11H12N2O2,2,15,4,0.18,BDAA,Reference,0.0,2.0,2.0,83.0,3.0,4.1,-32.43,N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
324,ZINC000001530641,2004-10-06,In-Stock,2015-08-07,250.338,3.573,C15H22O3,1,18,3,0.53,CHAA,Reference,-1.0,0.0,3.0,49.0,6.0,9.33,-46.39,Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1
325,ZINC000004099008,2005-11-07,In-Stock,2015-08-07,656.662,2.753,C32H32O13S,8,46,14,0.47,KFAA,Reference,0.0,3.0,14.0,160.0,6.0,3.24,-18.77,COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@H](c6cccs6)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O
326,ZINC000003938744,2005-10-21,In-Stock,2015-08-07,521.05,4.087,C28H37ClO7,4,36,8,0.71,KIEA,Reference,0.0,1.0,7.0,106.0,6.0,12.65,-16.94,CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C
327,ZINC000100013130,2015-08-08,In-Stock,2015-08-08,570.649,5.907,C35H30N4O4,9,43,8,0.26,KKBA,Reference,0.0,1.0,6.0,77.0,3.0,10.67,-29.8,CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4
328,ZINC000021297660,2008-12-03,In-Stock,2015-08-07,433.501,2.524,C23H31NO7,3,31,8,0.57,IFAA,Reference,0.0,1.0,8.0,94.0,9.0,6.46,-16.1,COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)OCCN1CCOCC1)C(=O)OC2
329,ZINC000001530568,2004-10-06,In-Stock,2015-08-07,307.434,2.393,C18H29NO3,2,22,4,0.67,DEAA,Reference,1.0,2.0,3.0,55.0,11.0,6.18,-41.61,CC(C)NC[C@@H](O)COc1ccc(CCOCC2CC2)cc1
330,ZINC000003938482,2005-10-21,In-Stock,2015-08-07,700.791,4.573,C37H42F2N8O4,7,51,14,0.41,KJCA,Reference,0.0,1.0,12.0,115.0,12.0,17.07,-21.26,CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O
331,ZINC000000001792,2005-09-29,In-Stock,2015-08-07,223.296,1.944,C12H19N2O2+,1,16,4,0.42,BDBA,Reference,1.0,0.0,2.0,29.0,2.0,7.9,-35.57,CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1
332,ZINC000003798750,2005-09-26,In-Stock,2015-08-07,129.159,0.365,C6H11NO2,0,9,3,0.5,ACEA,Reference,0.0,1.0,2.0,67.0,4.0,2.45,-59.34,C=C[C@@H](N)CCC(=O)O
333,ZINC000003920266,2005-10-19,In-Stock,2015-08-07,497.5,1.02,C26H27NO9,5,36,10,0.42,JDCA,Reference,1.0,5.0,9.0,178.0,3.0,1.21,-57.36,CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O
334,ZINC000084441937,2013-01-31,In-Stock,2015-08-08,444.44,-0.214,C22H24N2O8,4,32,10,0.41,IBEA,Reference,-1.0,5.0,8.0,188.0,2.0,0.42,-92.66,CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12
335,ZINC000011615928,2008-03-01,In-Stock,2015-08-07,558.65,6.314,C33H35FN2O5,4,41,8,0.27,KKAA,Reference,-1.0,3.0,6.0,114.0,12.0,14.76,-56.79,CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@H](O)C[C@H](O)CC(=O)O
336,ZINC000004038341,2005-11-03,In-Stock,2015-08-07,424.991,0.39,C18H33ClN2O5S,2,27,9,0.94,HCGA,,,,,,,,,CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1
337,ZINC000001530303,2004-10-06,In-Stock,2015-08-07,205.254,-1.136,C9H19NO4,0,14,5,0.89,BAAA,Reference,0.0,4.0,4.0,89.0,6.0,-4.06,-8.95,CC(C)(CO)[C@@H](O)C(=O)NCCCO
338,ZINC000001535101,2005-09-26,In-Stock,2015-08-07,481.546,2.402,C22H28FN3O6S,2,33,11,0.41,JEAA,Reference,-1.0,2.0,8.0,143.0,10.0,8.53,-58.73,CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O
339,ZINC000003993846,2005-10-31,In-Stock,2015-08-07,506.709,4.051,C27H42N2O5S,3,35,8,0.74,KIAA,Reference,0.0,3.0,7.0,112.0,2.0,7.36,-15.45,C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)N1
340,ZINC000000049154,2004-07-23,In-Stock,2015-08-07,169.18,0.08,C8H11NO3,1,12,4,0.38,ACAA,Reference,0.0,3.0,4.0,73.0,2.0,-4.67,-9.0,Cc1ncc(CO)c(CO)c1O
341,ZINC000001530929,2004-10-06,In-Stock,2015-08-07,262.309,1.307,C14H18N2O3,1,19,5,0.5,CDEB,Reference,0.0,1.0,3.0,66.0,3.0,4.8,-5.94,C=CC[C@]1([C@@H](C)C#CCC)C(=O)NC(=O)N(C)C1=O
342,ZINC000003977978,2005-10-28,In-Stock,2015-08-07,494.531,2.938,C26H32F2O7,5,35,9,0.73,JFEA,Reference,0.0,1.0,7.0,99.0,3.0,9.51,-19.11,CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C
343,ZINC000000002043,2005-09-30,In-Stock,2015-08-07,290.794,3.403,C16H19ClN2O,2,20,4,0.31,CGAA,Reference,1.0,1.0,2.0,26.0,6.0,9.2,-35.28,CN(C)CCO[C@H](c1ccc(Cl)cc1)c1ccccn1
344,ZINC000003830387,2005-09-30,In-Stock,2015-08-07,214.052,1.157,C5H9Cl2N3O2,0,12,7,0.8,BDGA,Reference,0.0,1.0,3.0,61.0,5.0,2.01,-5.16,O=NN(CCCl)C(=O)NCCCl
345,ZINC000003826253,2005-11-07,In-Stock,2015-08-07,401.438,2.371,C21H24FN3O4,5,29,8,0.52,HEAA,Reference,0.0,1.0,6.0,91.0,4.0,8.52,-97.22,COc1c(N2C[C@@H]3CCCN[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
346,ZINC000000592419,2005-09-27,In-Stock,2015-08-07,403.212,5.031,C17H14Cl2F2N2O3,3,26,9,0.29,HKAA,Reference,0.0,1.0,4.0,60.0,7.0,8.04,-10.51,O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1
347,ZINC000003776633,2005-09-30,In-Stock,2015-08-07,348.446,4.015,C22H24N2O2,3,26,4,0.27,EIAA,Reference,0.0,1.0,3.0,57.0,6.0,13.46,-81.71,Cc1ccc(/C(=C\CN2CCCC2)c2cccc(/C=C/C(=O)O)n2)cc1
348,ZINC000100014909,2015-08-08,In-Stock,2015-08-08,539.636,3.616,C31H33N5O4,5,40,9,0.26,KHAA,Reference,0.0,2.0,7.0,94.0,7.0,9.54,-16.75,COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)c1ccccc1
349,ZINC000001530728,2005-12-03,In-Stock,2015-08-07,314.411,1.459,C13H22N4O3S,1,21,8,0.54,DDBA,Reference,1.0,3.0,6.0,84.0,10.0,8.79,-46.86,CN/C(=C\[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1
350,ZINC000218037687,2015-08-08,In-Stock,2018-05-24,868.948,4.957,C40H52F4N6O9S,7,60,20,0.7,KJIB,,,,,,,,,CC[C@H]1[C@@H](C(=O)N[C@]2(C(=O)NS(=O)(=O)C3(C)CC3)C[C@H]2C(F)F)N2C[C@@H]1Oc1nc3cc(OC)ccc3nc1C(F)(F)CCCC[C@@H]1C[C@H]1OC(=O)N[C@@H](C(C)(C)C)C2=O
351,ZINC000008551177,2006-08-01,Annotated,2015-08-07,477.603,-3.327,C21H43N5O7,3,33,12,1.0,JAAF,,,,,,,,,CN[C@@H](C)[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@@H](O[C@@H]3OC[C@@](C)(O)[C@@H](NC)[C@@H]3O)[C@@H]2O)O1
352,ZINC000001482197,2005-09-30,In-Stock,2015-08-07,133.194,1.501,C9H11N,2,10,1,0.33,ADAA,Reference,1.0,1.0,0.0,27.0,1.0,3.92,-43.26,N[C@@H]1C[C@H]1c1ccccc1
353,ZINC000100052685,2015-08-08,Annotated,2016-03-05,478.629,4.883,C30H38O5,3,35,5,0.53,JJEF,,,,,,,,,CC#CC[C@H](C)[C@@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@H]2C/C(=C/CCCC(=O)OCC(=O)c3ccccc3)C[C@H]21
354,ZINC000000113398,2005-09-30,In-Stock,2015-08-07,206.285,3.073,C13H18O2,1,15,2,0.46,BGAA,Reference,-1.0,0.0,2.0,40.0,4.0,9.01,-45.88,CC(C)Cc1ccc([C@@H](C)C(=O)O)cc1
355,ZINC000001530817,2004-10-06,In-Stock,2015-08-07,220.316,2.322,C13H20N2O,1,16,3,0.46,BEAA,Reference,1.0,2.0,1.0,45.0,5.0,5.87,-39.94,CCCN[C@H](C)C(=O)Nc1ccccc1C
356,ZINC000013550868,2008-06-21,In-Stock,2015-08-07,151.165,2.0,C8H9NO2,1,11,3,0.12,AEEA,Reference,0.0,2.0,2.0,49.0,1.0,0.53,-10.09,C/C(O)=N\c1ccc(O)cc1
357,ZINC000100037855,2015-08-08,In-Stock,2015-08-08,430.541,2.332,C25H34O6,4,31,6,0.68,IEAA,,,,,,,,,C/C=C(/C)C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C
358,ZINC000145401681,2015-08-08,For-Sale,2019-08-25,529.458,1.657,C22H29FN3O9P,3,36,14,0.5,KDAE,,,,,,,,,CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1
359,ZINC000000621893,2004-07-25,In-Stock,2015-08-07,414.527,3.369,C22H26N2O4S,3,29,7,0.36,HGAA,Reference,1.0,1.0,5.0,60.0,6.0,12.07,-42.61,COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1
360,ZINC000000005895,2005-09-26,In-Stock,2015-08-07,269.352,1.912,C15H19N5,3,20,5,0.33,CDAA,Reference,1.0,2.0,3.0,50.0,5.0,10.38,-45.78,CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12
361,ZINC000256097213,2016-02-16,For-Sale,2018-02-24,806.937,-2.156,C36H70O19,2,55,19,1.0,KAAE,,,,,,,,,C[C@H](O)COC[C@@H]1O[C@H](O[C@@H]2[C@H](COC[C@H](C)O)O[C@@H](OC[C@H](C)O)[C@H](OC[C@H](C)O)[C@@H]2OC[C@H](C)O)[C@@H](OC[C@H](C)O)[C@H](OC[C@H](C)O)[C@H]1OC[C@H](C)O
362,ZINC000003938695,2005-10-21,In-Stock,2016-02-24,369.505,4.715,C23H31NO3,4,27,4,0.74,FJAA,Reference,0.0,1.0,4.0,58.0,2.0,10.25,-11.7,C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C/C(=N/O)CC[C@@H]4[C@H]3CC[C@@]21CC
363,ZINC000000012346,2005-09-26,In-Stock,2015-08-07,229.261,-0.594,C8H11N3O3S,2,15,7,0.5,BBAA,Reference,0.0,2.0,7.0,90.0,2.0,-2.21,-16.44,Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1
364,ZINC000000020237,2004-07-23,In-Stock,2015-08-07,234.343,2.584,C14H22N2O,1,17,3,0.5,BFAA,Reference,1.0,2.0,1.0,33.0,5.0,7.79,-37.64,CCN(CC)CC(=O)Nc1c(C)cccc1C
365,ZINC000003807172,2005-11-07,In-Stock,2015-08-07,508.645,0.913,C23H36N6O5S,3,35,12,0.61,KCAA,Reference,0.0,5.0,6.0,182.0,9.0,6.68,-104.82,C[C@H]1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)O)C1
366,ZINC000003914596,2005-10-18,In-Stock,2015-08-07,670.855,3.092,C38H50N6O5,5,49,11,0.5,KGAA,Reference,1.0,6.0,6.0,167.0,12.0,8.2,-60.86,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1
367,ZINC000000403010,2005-09-30,In-Stock,2015-08-07,328.412,2.135,C19H24N2O3,2,24,5,0.32,EEAA,Reference,1.0,4.0,3.0,100.0,8.0,3.46,-59.53,C[C@@H](CCc1ccccc1)NC[C@H](O)c1ccc(O)c(C(N)=O)c1
368,ZINC000001851149,2004-10-09,In-Stock,2015-08-07,448.394,4.859,C23H27Cl2N3O2,4,30,7,0.43,IJAA,Reference,1.0,2.0,3.0,46.0,7.0,11.04,-51.81,O=C1CCc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1
369,ZINC000003831040,2005-09-30,In-Stock,2015-08-07,142.201,-0.196,C2H6O3S2,0,7,5,1.0,ABEA,Reference,-1.0,1.0,4.0,57.0,2.0,-1.52,-37.13,O=S(=O)(O)CCS
370,ZINC000018203737,2008-10-03,In-Stock,2015-08-07,174.203,1.799,C10H10N2O,2,13,3,0.2,ADAA,Reference,0.0,1.0,2.0,37.0,1.0,4.95,-14.67,CC1=NN(c2ccccc2)C(=O)C1
371,ZINC000000001706,2004-07-23,In-Stock,2015-08-07,137.138,0.868,C7H7NO2,1,10,3,0.14,ACAA,Reference,0.0,0.0,3.0,39.0,1.0,3.39,-6.32,COC(=O)c1cccnc1
372,ZINC000001571009,2004-10-07,In-Stock,2015-08-07,412.638,6.072,C27H42NO2+,2,30,3,0.56,HKBA,Reference,1.0,0.0,2.0,18.0,11.0,15.86,-33.65,CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1
373,ZINC000252286875,2016-02-05,In-Stock,2016-02-26,926.107,0.778,C47H75NO17,2,65,18,0.68,KCAB,,,,,,,,,C[C@H]1O[C@@H](O[C@H]2/C=C/C=C/C=C/C=C/CC/C=C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)C[C@@H](O)C[C@@H](O)C[C@@H](O)CC[C@@H](O)[C@@H](O)CC(=O)C[C@@H](O)[C@@H](C(=O)O)[C@@H](O)C2)[C@@H](O)[C@@H](N)[C@@H]1O
374,ZINC000011677857,2008-03-03,In-Stock,2015-08-07,483.96,3.007,C23H26ClN7O3,4,34,11,0.35,JGEA,Reference,0.0,3.0,9.0,125.0,9.0,5.16,-14.93,COc1ccc(CNc2nc(N3CCC[C@H]3CO)ncc2/C(O)=N/Cc2ncccn2)cc1Cl
375,ZINC000004097344,2005-11-07,In-Stock,2015-08-07,705.647,5.577,C35H38Cl2N8O4,7,49,14,0.37,KKCA,Reference,0.0,0.0,12.0,104.0,11.0,17.63,-25.53,CC[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O
376,ZINC000068202099,2011-09-30,In-Stock,2015-08-08,485.506,5.822,C26H26F3N3O3,4,35,9,0.31,JKAA,Reference,0.0,1.0,5.0,63.0,5.0,10.11,-10.53,Cc1c(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1
377,ZINC000001530769,2004-10-06,In-Stock,2015-08-07,339.479,4.276,C22H29NO2,2,25,3,0.41,EIAA,Reference,1.0,1.0,2.0,30.0,8.0,13.05,-37.72,CCC(=O)O[C@](Cc1ccccc1)(c1ccccc1)[C@H](C)CN(C)C
378,ZINC000100009383,2015-08-08,In-Stock,2015-08-08,180.156,-3.379,C6H12O6,0,12,6,0.83,AAEA,Reference,0.0,5.0,6.0,118.0,5.0,-8.15,-12.71,O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
379,ZINC000003955219,2005-10-25,In-Stock,2015-08-07,547.674,2.375,C27H37N3O7S,4,38,11,0.52,KEAA,Reference,0.0,3.0,8.0,140.0,11.0,4.79,-16.9,CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1
380,ZINC000014164617,2008-07-04,In-Stock,2015-08-07,420.634,5.114,C26H44O4,4,30,4,0.96,HKAA,Reference,-1.0,2.0,4.0,80.0,5.0,9.05,-47.57,CC[C@@H]1[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC(=O)O)[C@@H]2[C@@H]1O
381,ZINC000000509440,2005-09-27,In-Stock,2015-08-07,286.718,2.448,C15H11ClN2O2,3,20,5,0.07,CEAA,Reference,0.0,2.0,3.0,61.0,1.0,2.23,-11.04,O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@@H]1O
382,ZINC000000020221,2005-09-27,In-Stock,2015-08-07,228.291,3.37,C15H16O2,2,17,2,0.27,BGAA,Reference,0.0,0.0,2.0,26.0,4.0,8.17,-8.45,COc1ccc2cc(CCC(C)=O)ccc2c1
383,ZINC000000156395,2005-11-18,In-Stock,2015-08-07,223.228,0.524,C11H13NO4,1,16,5,0.27,BCAA,Reference,-1.0,2.0,4.0,89.0,4.0,2.51,-54.38,CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
384,ZINC000003871832,2005-10-04,In-Stock,2015-08-07,454.611,5.093,C27H38N2O4,2,33,6,0.52,JKEA,Reference,1.0,1.0,5.0,65.0,13.0,12.44,-59.12,COc1ccc(CCN(C)CCC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC
385,ZINC000068153186,2011-09-22,In-Stock,2015-08-08,519.574,5.365,C23H20F3N5O2S2,4,35,12,0.17,KKAA,Reference,-1.0,1.0,7.0,112.0,5.0,9.67,-64.98,CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1
386,ZINC000000001655,2005-09-27,In-Stock,2015-08-07,296.153,4.744,C14H11Cl2NO2,2,19,5,0.07,CJAA,Reference,-1.0,1.0,3.0,52.0,3.0,8.75,-48.75,Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl
387,ZINC000000537791,2005-09-26,In-Stock,2015-08-07,490.626,3.278,C24H34N4O5S,3,34,10,0.54,JGEA,Reference,-1.0,2.0,5.0,131.0,6.0,7.72,-68.49,CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)/N=C(\O)NC3CCC(C)CC3)cc2)C1=O
388,ZINC000004632106,2005-12-15,In-Stock,2015-08-07,200.285,3.178,C13H16N2,2,15,2,0.31,BGAA,Reference,0.0,1.0,1.0,28.0,2.0,7.87,-7.72,Cc1cccc([C@H](C)c2cnc[nH]2)c1C
389,ZINC000000014007,2004-07-23,In-Stock,2015-08-07,266.341,0.452,C14H22N2O3,1,19,5,0.5,CCAA,Reference,1.0,3.0,3.0,89.0,8.0,0.6,-46.37,CC(C)NC[C@@H](O)COc1ccc(CC(N)=O)cc1
390,ZINC000000089763,2004-07-23,In-Stock,2015-08-07,253.283,1.366,C10H11N3O3S,2,17,7,0.1,CDAA,Reference,-1.0,1.0,5.0,100.0,3.0,1.49,-55.3,Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1
391,ZINC000051133897,2010-10-28,In-Stock,2015-08-07,331.353,1.581,C15H13N3O4S,3,23,8,0.07,EDAA,Reference,-1.0,1.0,5.0,102.0,2.0,3.62,-52.53,CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O
392,ZINC000019632713,2008-11-05,In-Stock,2015-08-07,418.446,2.971,C21H26N2O7,2,30,9,0.43,HFBA,Reference,0.0,1.0,8.0,117.0,8.0,11.23,-18.84,COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1
393,ZINC000004099032,2005-11-07,In-Stock,2015-08-07,440.411,5.182,C23H31Cl2NO3,4,29,6,0.7,IKGA,,,,,,,,,C[C@]12CC[C@@H]3c4ccc(OC(=O)N(CCCl)CCCl)cc4CC[C@H]3[C@@H]1CC[C@@H]2O
394,ZINC000007997952,2006-06-27,In-Stock,2015-08-07,270.376,2.923,C17H22N2O,2,20,3,0.35,CFAA,Reference,1.0,1.0,2.0,26.0,6.0,9.11,-35.79,CN(C)CCO[C@](C)(c1ccccc1)c1ccccn1
395,ZINC000001530694,2004-10-06,In-Stock,2015-08-07,408.52,2.341,C20H28N2O5S,2,28,8,0.4,HEAA,Reference,1.0,2.0,5.0,104.0,11.0,4.81,-47.27,CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(S(N)(=O)=O)c1
396,ZINC000034676245,2009-09-21,In-Stock,2015-08-07,102.093,-0.785,C3H6N2O2,1,7,4,0.67,ABAA,Reference,0.0,1.0,3.0,72.0,0.0,-4.22,-38.11,N[C@@H]1CON=C1O
397,ZINC000004212809,2005-11-15,In-Stock,2015-08-07,441.524,2.563,C25H31NO6,5,32,7,0.68,IFEA,Reference,0.0,1.0,7.0,102.0,3.0,6.8,-14.99,CC(=O)OCC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C
398,ZINC000022065398,2008-12-12,In-Stock,2016-02-28,312.453,3.883,C21H28O2,4,23,2,0.76,DHAA,Reference,0.0,1.0,2.0,37.0,1.0,8.47,-8.06,C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC
399,ZINC000003800475,2005-09-26,In-Stock,2015-08-07,390.52,3.583,C23H34O5,3,28,5,0.7,GHAA,Reference,-1.0,2.0,5.0,89.0,10.0,8.78,-49.61,CCCCC[C@H](O)CC[C@@H]1[C@H]2Cc3cccc(OCC(=O)O)c3C[C@H]2C[C@H]1O
400,ZINC000000967520,2004-08-06,In-Stock,2015-08-07,152.237,2.402,C10H16O,2,11,1,0.9,AEAA,Reference,0.0,0.0,1.0,17.0,0.0,5.59,-4.71,CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2
401,ZINC000000156792,2005-10-04,In-Stock,2015-08-07,336.432,2.365,C18H28N2O4,1,24,6,0.56,EEAA,Reference,1.0,3.0,4.0,92.0,10.0,5.27,-47.04,CCCC(=O)Nc1ccc(OC[C@@H](O)CNC(C)C)c(C(C)=O)c1
402,ZINC000003831282,2005-09-30,In-Stock,2015-08-07,350.396,0.697,C16H18N2O5S,3,24,8,0.44,FCAA,Reference,-1.0,1.0,6.0,98.0,5.0,4.88,-55.12,CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)O
403,ZINC000100036751,2015-08-08,In-Stock,2016-02-23,318.393,1.063,C18H24NO4+,4,23,5,0.61,DDBB,,,,,,,,,C[N+]1(C)[C@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21
404,ZINC000003992105,2005-10-30,In-Stock,2015-08-07,538.584,4.927,C27H29F3O6S,5,37,10,0.59,KJEB,Reference,0.0,1.0,7.0,93.0,4.0,11.28,-22.37,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)SCF
405,ZINC000001529323,2005-09-30,In-Stock,2015-08-07,454.447,0.268,C20H22N8O5,3,33,13,0.25,JCAA,Reference,-2.0,3.0,12.0,216.0,9.0,6.07,-125.97,CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1
406,ZINC000000057062,2005-10-05,In-Stock,2015-08-07,179.263,2.029,C11H17NO,1,13,2,0.45,AEAA,Reference,1.0,1.0,1.0,36.0,3.0,4.51,-40.8,Cc1cccc(C)c1OC[C@H](C)N
407,ZINC000000001317,2005-11-15,In-Stock,2015-08-07,350.415,2.343,C18H26N2O5,1,25,7,0.5,FEAA,Reference,-2.0,1.0,6.0,112.0,9.0,7.83,-119.04,CC(C)c1cccc(C(C)C)c1NC(=O)CN(CC(=O)O)CC(=O)O
408,ZINC000022116612,2008-12-12,In-Stock,2015-08-07,305.761,2.734,C16H16ClNO3,3,21,5,0.25,DFCA,Reference,1.0,4.0,3.0,77.0,1.0,1.0,-51.5,Oc1ccc([C@H]2CNCCc3c2cc(O)c(O)c3Cl)cc1
409,ZINC000000896968,2005-09-27,In-Stock,2015-08-07,318.437,2.456,C19H28NO3+,3,23,4,0.63,DEBA,Reference,1.0,1.0,3.0,46.0,4.0,11.11,-35.8,C[N+]1(C)CC[C@@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1
410,ZINC000000000506,2005-09-26,In-Stock,2015-08-07,246.354,1.771,C15H22N2O,2,18,3,0.53,BDAA,Reference,1.0,1.0,1.0,47.0,5.0,5.86,-52.5,CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1CN
411,ZINC000001529266,2004-10-06,In-Stock,2015-08-07,296.552,3.621,C10H20N2S4,0,16,6,0.8,CHGA,,,,,,,,,CCN(CC)C(=S)SSC(=S)N(CC)CC
412,ZINC000004097305,2005-11-07,In-Stock,2015-08-07,434.504,2.275,C24H31FO6,5,31,7,0.75,IEEA,Reference,0.0,2.0,6.0,93.0,2.0,5.66,-19.13,CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1
413,ZINC000008035377,2006-06-28,Annotated,2018-10-17,821.141,-1.627,C19H26I3N3O9,1,34,15,0.53,KAAF,,,,,,,,,CC(=O)N(C[C@@H](O)CO)c1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)NC[C@@H](O)CO)c1I
414,ZINC000034608502,2009-09-01,In-Stock,2015-08-07,428.596,5.14,C29H34NO2+,6,32,3,0.38,IKBA,Reference,1.0,1.0,2.0,29.0,8.0,14.45,-37.78,OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2
415,ZINC000000074836,2005-09-30,In-Stock,2015-08-07,165.236,1.328,C10H15NO,1,12,2,0.4,ADAA,Reference,1.0,2.0,1.0,36.0,3.0,2.6,-37.91,CN[C@@H](C)[C@H](O)c1ccccc1
416,ZINC000100036536,2015-08-08,In-Stock,2015-08-08,307.437,4.418,C21H25NO,4,23,2,0.43,DIAA,Reference,1.0,1.0,1.0,13.0,4.0,12.56,-33.01,CN1[C@H]2CC[C@@H]1C[C@H](OC(c1ccccc1)c1ccccc1)C2
417,ZINC000003977764,2005-10-28,In-Stock,2015-08-07,563.672,6.121,C30H46NO7P,3,39,9,0.7,KKAA,Reference,-1.0,0.0,7.0,113.0,14.0,18.67,-58.6,CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)O)C(C)C
418,ZINC000003818808,2005-09-29,In-Stock,2015-08-07,312.377,1.545,C16H20N6O,3,23,7,0.5,DDEA,Reference,0.0,1.0,5.0,88.0,3.0,9.01,-25.44,C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12
419,ZINC000169289411,2015-08-08,In-Stock,2015-08-08,804.031,4.639,C44H69NO12,4,57,13,0.77,KJEA,,,,,,,,,C=CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
420,ZINC000000057340,2004-07-23,In-Stock,2015-08-07,241.243,0.53,C11H15NO5,1,17,6,0.36,BCAA,Reference,0.0,2.0,5.0,91.0,6.0,-1.33,-13.01,COc1ccccc1OC[C@H](O)COC(N)=O
421,ZINC000005752191,2006-02-12,In-Stock,2015-08-07,410.457,1.844,C22H28F2O5,4,29,7,0.73,HDEA,Reference,0.0,3.0,5.0,94.0,2.0,3.47,-16.94,C[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
422,ZINC000003873296,2005-10-04,In-Stock,2015-08-07,429.134,6.118,C18H13Cl4N3O,3,26,8,0.11,IKEA,Reference,0.0,0.0,4.0,39.0,6.0,13.52,-6.68,Clc1ccc(CO/N=C(/Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
423,ZINC000003875342,2005-10-05,In-Stock,2015-08-07,338.444,3.718,C19H30O5,2,24,5,0.68,EHAA,Reference,0.0,0.0,5.0,46.0,13.0,8.15,-9.45,CCCCOCCOCCOCc1cc2c(cc1CCC)OCO2
424,ZINC000035328014,2009-10-06,In-Stock,2015-08-07,440.507,4.217,C25H24N6O2,5,33,8,0.2,IIAA,Reference,0.0,1.0,7.0,99.0,5.0,11.64,-16.11,C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1
425,ZINC000001530762,2004-10-06,In-Stock,2015-08-07,294.395,2.556,C16H26N2O3,1,21,5,0.56,CFAA,Reference,1.0,2.0,4.0,65.0,9.0,7.86,-36.85,CCCOc1ccc(C(=O)OCCN(CC)CC)cc1N
426,ZINC000003995809,2005-10-31,In-Stock,2015-08-07,606.782,8.683,C32H47F5O3S,4,41,9,0.81,KKAA,Reference,0.0,2.0,3.0,57.0,14.0,13.6,-17.94,C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCC[S@@](=O)CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O
427,ZINC000021981454,2008-12-11,In-Stock,2015-08-07,410.913,2.998,C22H28ClFO4,4,28,6,0.73,HFEB,Reference,0.0,2.0,4.0,74.0,2.0,6.98,-19.47,C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO
428,ZINC000001531036,2004-10-06,In-Stock,2015-08-07,188.223,1.886,C9H16O4,0,13,4,0.78,ADAA,Reference,-2.0,0.0,4.0,80.0,8.0,7.45,-96.24,O=C(O)CCCCCCCC(=O)O
429,ZINC000012503291,2008-05-16,In-Stock,2015-08-07,392.522,2.346,C19H22NO4S2+,5,26,7,0.53,GEBB,Reference,1.0,1.0,6.0,59.0,4.0,9.75,-42.93,C[N+]1(C)[C@H]2CC(OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@@H]1O[C@@H]12
430,ZINC000003875483,2005-10-05,In-Stock,2015-08-07,301.342,0.745,C17H19NO4,5,22,5,0.59,DCAA,Reference,1.0,3.0,4.0,71.0,0.0,2.86,-59.45,CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5
431,ZINC000003876186,2005-10-05,In-Stock,2015-08-07,350.436,3.293,C18H22O5S,4,24,6,0.61,FGAA,Reference,-1.0,0.0,5.0,83.0,2.0,6.27,-49.16,C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O
432,ZINC000011680067,2008-03-03,In-Stock,2016-02-25,324.464,4.049,C22H28O2,4,24,2,0.68,DIEA,Reference,0.0,1.0,2.0,37.0,1.0,8.97,-8.43,C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3C(=C)C[C@@]21CC
433,ZINC000013545636,2008-06-21,In-Stock,2015-08-07,226.276,1.185,C11H18N2O3,1,16,5,0.73,BDAA,Reference,0.0,2.0,3.0,75.0,4.0,1.22,-4.97,CCC[C@H](C)C1(CC)C(=O)NC(=O)NC1=O
434,ZINC000019632718,2008-11-05,In-Stock,2015-08-07,418.446,2.971,C21H26N2O7,2,30,9,0.43,HFBA,Reference,0.0,1.0,8.0,117.0,8.0,11.25,-16.72,COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1
435,ZINC000003782550,2005-09-26,In-Stock,2015-08-07,131.131,-0.621,C5H9NO3,0,9,4,0.6,ABAA,Reference,0.0,1.0,3.0,84.0,4.0,1.06,-70.93,NCC(=O)CCC(=O)O
436,ZINC000001612996,2005-10-18,In-Stock,2015-08-07,586.689,4.091,C33H38N4O6,7,43,10,0.52,KIAA,Reference,1.0,2.0,8.0,115.0,4.0,13.39,-52.53,CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC
437,ZINC000019362735,2008-10-31,In-Stock,2015-08-07,300.833,3.677,C18H21ClN2,3,21,3,0.33,DHAA,Reference,1.0,1.0,1.0,7.0,3.0,10.37,-36.95,CN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1
438,ZINC000256097218,2016-02-16,For-Sale,2018-02-24,806.937,-2.156,C36H70O19,2,55,19,1.0,KAAE,,,,,,,,,C[C@H](O)COC[C@@H]1O[C@@H](OC[C@H](C)O)[C@H](OC[C@H](C)O)[C@H](OC[C@H](C)O)[C@@H]1O[C@H]1O[C@@H](COC[C@@H](C)O)[C@H](OC[C@@H](C)O)[C@@H](OC[C@H](C)O)[C@@H]1OC[C@H](C)O
439,ZINC000003913937,2005-10-18,In-Stock,2015-08-07,517.564,-0.24,C23H27N5O7S,4,36,13,0.48,KBAA,Reference,-1.0,2.0,8.0,159.0,6.0,7.49,-69.19,CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H](C(=O)O)C(C)(C)S[C@H]23)c2ccccc2)C(=O)C1=O
440,ZINC000001550499,2004-10-06,In-Stock,2015-08-07,357.419,6.142,C22H22F3N,3,26,4,0.27,FKAA,Reference,1.0,1.0,0.0,16.0,6.0,13.64,-48.85,C[C@@H](NCCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12
441,ZINC000100016084,2015-08-08,In-Stock,2015-08-08,392.519,3.77,C25H30NO3+,5,29,4,0.48,GHBA,Reference,1.0,1.0,3.0,46.0,4.0,13.42,-31.99,O=C(O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1
442,ZINC000008214619,2006-07-04,In-Stock,2016-02-24,428.657,7.181,C28H44O3,4,31,3,0.86,IKAA,Reference,0.0,0.0,3.0,43.0,9.0,17.26,-10.74,CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
443,ZINC000001532525,2004-10-06,In-Stock,2015-08-07,174.204,-1.338,C6H14N4O2,0,12,6,0.67,AAAA,Reference,1.0,4.0,2.0,131.0,5.0,0.35,-74.7,N=C(N)NCCC[C@H](N)C(=O)O
444,ZINC000008015016,2006-06-28,In-Stock,2015-08-07,176.001,-0.701,CH6O6P2,0,9,8,1.0,ABAA,High pH (8.4),-4.0,0.0,6.0,126.0,2.0,-1.93,-368.26,O=P(O)(O)CP(=O)(O)O
445,ZINC000003816292,2005-09-29,In-Stock,2015-08-07,426.86,4.072,C21H19ClN4O4,4,30,9,0.19,IIAA,Reference,0.0,3.0,5.0,115.0,6.0,5.09,-15.89,COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O
446,ZINC000000895318,2004-07-28,In-Stock,2015-08-07,76.095,-0.641,C3H8O2,0,5,2,1.0,ABAA,Reference,0.0,2.0,2.0,40.0,1.0,-3.42,-5.18,C[C@@H](O)CO
447,ZINC000003945984,2005-10-24,In-Stock,2015-08-07,370.533,4.497,C24H34O3,4,27,3,0.75,FIEB,Reference,0.0,1.0,3.0,54.0,2.0,9.91,-9.64,CCC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
448,ZINC000000601254,2004-07-24,In-Stock,2015-08-07,365.842,2.714,C16H16ClN3O3S,3,24,8,0.19,FFAA,Reference,0.0,2.0,4.0,92.0,2.0,3.71,-17.21,Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N[C@H]1C
449,ZINC000003607120,2004-11-08,In-Stock,2015-08-07,375.4,1.98,C19H22FN3O4,4,27,8,0.47,GDAA,Reference,0.0,1.0,6.0,91.0,4.0,8.96,-101.35,COc1c(N2CCN[C@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
450,ZINC000008034120,2006-06-28,In-Stock,2015-08-07,76.055,-0.956,CH4N2O2,0,5,4,0.0,ABAA,Reference,0.0,3.0,2.0,75.0,0.0,-4.27,-13.34,NC(=O)NO
451,ZINC000001530689,2005-10-28,In-Stock,2015-08-07,371.524,5.996,C26H29NO,3,28,2,0.23,FKAA,Reference,1.0,1.0,1.0,13.0,8.0,15.83,-35.8,CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
452,ZINC000033943508,2009-08-03,In-Stock,2015-08-07,300.442,5.603,C20H28O2,1,22,2,0.45,DKAA,Reference,-1.0,0.0,2.0,40.0,5.0,11.49,-57.57,CC1=C(/C=C/C(C)=C\C=C\C(C)=C/C(=O)O)C(C)(C)CCC1
453,ZINC000022851765,2008-12-21,In-Stock,2016-02-28,527.527,-0.675,C23H33N3O11,1,37,14,0.52,KBAB,Reference,-4.0,1.0,13.0,220.0,20.0,9.43,-292.09,CCOc1ccc(C[C@H](CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)cc1
454,ZINC000100007011,2015-08-08,In-Stock,2015-08-08,157.213,0.836,C8H15NO2,1,11,3,0.88,ACAA,Reference,0.0,1.0,2.0,67.0,2.0,3.41,-79.59,NC[C@@H]1CC[C@@H](C(=O)O)CC1
455,ZINC000043195697,2010-05-08,In-Stock,2016-11-28,418.578,3.564,C24H38N2O4,3,30,6,0.71,HHAA,Reference,2.0,2.0,4.0,76.0,7.0,10.51,-102.86,COc1cc2c(cc1OC)[C@H]1C[C@@H](OC(=O)[C@@H](N)C(C)C)[C@H](CC(C)C)CN1CC2
456,ZINC000003791297,2005-09-26,In-Stock,2015-08-07,376.453,1.605,C20H28N2O5,2,27,7,0.55,GDAA,Reference,-1.0,1.0,6.0,98.0,9.0,9.39,-65.46,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O
457,ZINC000000002176,2005-09-27,In-Stock,2015-08-07,316.427,0.502,C13H24N4O3S,2,21,8,0.85,DCAA,Reference,1.0,2.0,7.0,84.0,6.0,-0.05,-41.97,CC(C)(C)NC[C@H](O)COc1nsnc1N1CCOCC1
458,ZINC000058581064,2011-02-09,In-Stock,2015-08-07,419.384,1.353,C20H19F2N3O5,4,30,10,0.35,HDAA,Reference,0.0,2.0,6.0,100.0,3.0,4.68,-15.85,C[C@@H]1CCO[C@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N21
459,ZINC000028957444,2009-03-09,In-Stock,2015-08-07,522.578,2.014,C23H28F2N6O4S,5,36,13,0.57,KEAA,Reference,0.0,4.0,11.0,138.0,10.0,3.95,-16.5,CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1
460,ZINC000008214635,2006-07-04,In-Stock,2015-08-07,495.745,6.882,C29H53NO5,1,35,6,0.9,JKEA,Reference,0.0,1.0,5.0,81.0,23.0,18.66,-16.81,CCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O
461,ZINC000001533877,2004-10-06,In-Stock,2015-08-07,319.231,0.5,C9H23NO7P2,0,19,10,1.0,DCAA,High pH (8.4),-3.0,2.0,7.0,151.0,9.0,0.8,-305.0,CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O
462,ZINC000001539579,2004-10-06,In-Stock,2015-08-07,348.486,6.104,C24H28O2,3,26,2,0.38,EKAA,Reference,-1.0,0.0,2.0,40.0,3.0,14.52,-49.36,C=C(c1ccc(C(=O)O)cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C
463,ZINC000000001408,2005-09-27,In-Stock,2015-08-07,244.294,2.669,C14H16N2O2,2,18,4,0.29,BFAA,Reference,0.0,0.0,4.0,44.0,4.0,9.09,-7.9,CCOC(=O)c1cncn1[C@H](C)c1ccccc1
464,ZINC000000607986,2004-07-24,In-Stock,2016-02-17,405.441,2.364,C22H25F2NO4,4,29,7,0.45,HEAA,Reference,1.0,3.0,4.0,75.0,6.0,5.39,-50.48,O[C@@H](CNC[C@@H](O)[C@H]1CCc2cc(F)ccc2O1)[C@H]1CCc2cc(F)ccc2O1
465,ZINC000019156872,2008-10-24,In-Stock,2015-08-07,266.388,3.023,C18H22N2,3,20,2,0.33,CGAA,Reference,1.0,1.0,1.0,7.0,3.0,9.3,-30.69,CN1CCN(C(c2ccccc2)c2ccccc2)CC1
466,ZINC000003918087,2005-10-18,In-Stock,2015-08-07,543.525,0.001,C27H29NO11,5,39,12,0.44,KCCA,Reference,0.0,6.0,11.0,207.0,5.0,0.07,-76.02,COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1
467,ZINC000001530922,2004-10-06,In-Stock,2015-08-07,362.278,1.549,C16H15N2O6P,3,25,9,0.12,FDAA,Reference,-2.0,1.0,6.0,121.0,5.0,5.28,-143.96,O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1COP(=O)(O)O
468,ZINC000003798537,2005-09-26,In-Stock,2015-08-07,452.595,5.22,C27H36N2O4,3,33,6,0.48,JKAA,Reference,-1.0,1.0,5.0,81.0,10.0,16.06,-65.95,CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O
469,ZINC000004474460,2005-12-03,In-Stock,2015-08-07,384.648,7.619,C27H44O,3,28,1,0.78,GKEA,Reference,0.0,1.0,1.0,20.0,6.0,13.53,-2.22,C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C
470,ZINC000003872055,2005-10-04,In-Stock,2015-08-07,295.729,0.13,C7H6ClN3O4S2,2,17,10,0.0,CCAA,Reference,0.0,2.0,5.0,118.0,1.0,-2.77,-26.96,NS(=O)(=O)c1cc2c(cc1Cl)NC=NS2(=O)=O
471,ZINC000019364225,2008-10-31,In-Stock,2015-08-07,146.238,-1.917,C6H18N4,0,10,4,1.0,AAAA,Reference,2.0,4.0,2.0,79.0,7.0,-5.61,-91.18,NCCNCCNCCN
472,ZINC000034051848,2009-08-09,In-Stock,2015-08-07,298.455,3.864,C18H22N2S,3,21,3,0.33,CHAA,Reference,1.0,1.0,2.0,19.0,3.0,8.61,-42.65,Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1
473,ZINC000000896666,2005-09-30,In-Stock,2015-08-07,133.194,1.501,C9H11N,2,10,1,0.33,ADAA,Reference,1.0,1.0,0.0,27.0,1.0,4.08,-38.99,N[C@H]1C[C@H]1c1ccccc1
474,ZINC000008214662,2006-07-04,In-Stock,2015-08-07,582.816,4.049,C30H62O10,0,40,10,1.0,KIEA,,,,,,,,,CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
475,ZINC000000039089,2005-09-30,In-Stock,2015-08-07,183.207,0.351,C9H13NO3,1,13,4,0.33,ACCA,Reference,1.0,4.0,3.0,77.0,3.0,-2.8,-45.27,CNC[C@H](O)c1ccc(O)c(O)c1
476,ZINC000000002273,2005-10-05,In-Stock,2015-08-07,211.261,1.129,C11H17NO3,1,15,4,0.45,BDAA,Reference,1.0,4.0,3.0,77.0,4.0,-2.2,-42.17,CC(C)NC[C@H](O)c1cc(O)cc(O)c1
477,ZINC000085205451,2013-02-13,In-Stock,2016-03-01,298.426,3.493,C20H26O2,4,22,2,0.75,CGEA,Reference,0.0,1.0,2.0,37.0,0.0,7.91,-8.97,C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C
478,ZINC000001530975,2004-10-06,In-Stock,2015-08-07,317.476,5.769,C23H27N,3,24,1,0.3,DKAA,Reference,1.0,1.0,0.0,4.0,4.0,14.51,-40.09,CN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12
479,ZINC000100036760,2015-08-08,In-Stock,2015-08-08,318.393,1.063,C18H24NO4+,4,23,5,0.61,DDBA,,,,,,,,,C[N+]1(C)[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@H]1O[C@@H]21
480,ZINC000002015928,2004-10-10,In-Stock,2015-08-07,286.339,1.092,C14H18N6O,4,21,7,0.5,CDAA,Reference,0.0,3.0,7.0,101.0,4.0,5.56,-9.84,Nc1nc(NC2CC2)c2ncn([C@H]3C=C[C@@H](CO)C3)c2n1
481,ZINC000002016257,2004-10-10,In-Stock,2015-08-07,277.408,4.126,C17H27NO2,1,20,3,0.59,CIAA,Reference,0.0,0.0,3.0,29.0,8.0,10.87,-5.96,CCCC[C@@H](CC)COC(=O)c1ccc(N(C)C)cc1
482,ZINC000000020251,2004-10-27,In-Stock,2015-08-07,281.359,2.84,C17H19N3O,3,21,4,0.24,CFAA,Reference,1.0,3.0,3.0,49.0,4.0,5.62,-33.7,Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1
483,ZINC000052955754,2010-11-15,In-Stock,2015-08-07,581.673,1.991,C33H35N5O5,8,43,10,0.42,KDAA,Reference,1.0,4.0,5.0,119.0,4.0,8.9,-49.71,CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21
484,ZINC000203757351,2015-08-08,Annotated,2015-08-08,765.893,3.637,C40H43N7O7S,8,55,15,0.42,KHBF,,,,,,,,,Cc1cnc(C(=O)N[C@H]2CCCCC/C=C\[C@H]3C[C@@]3(C(=O)NS(=O)(=O)C3CC3)NC(=O)[C@@H]3C[C@@H](Oc4nc5ccccc5c5ccccc45)CN3C2=O)cn1
485,ZINC000030691763,2009-04-01,In-Stock,2015-08-07,456.322,4.245,C21H23Cl2NO6,2,30,9,0.38,JIAA,Reference,0.0,1.0,7.0,90.0,7.0,12.65,-15.97,CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl
486,ZINC000096006009,2014-03-19,In-Stock,2015-08-08,267.31,1.674,C11H13N3O3S,2,18,7,0.18,CDAA,Reference,-1.0,1.0,5.0,100.0,3.0,-0.14,-49.38,Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C
487,ZINC000100015780,2015-08-08,In-Stock,2015-08-08,332.464,2.854,C20H30NO3+,3,24,4,0.65,EFBA,Reference,1.0,1.0,3.0,46.0,5.0,10.13,-31.22,CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2
488,ZINC000000006226,2005-09-27,In-Stock,2015-08-07,139.154,0.399,C7H9NO2,1,10,3,0.29,ACAA,Reference,0.0,1.0,3.0,42.0,0.0,2.44,-15.8,Cc1c(O)c(=O)ccn1C
489,ZINC000000584092,2004-07-24,In-Stock,2015-08-07,360.837,4.68,C20H21ClO4,2,25,5,0.3,FJAA,Reference,0.0,0.0,4.0,52.0,6.0,11.71,-10.17,CC(C)OC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1
490,ZINC000004474564,2005-12-03,In-Stock,2015-08-07,328.496,6.549,C22H32O2,0,24,2,0.41,EKAA,Reference,-1.0,0.0,2.0,40.0,14.0,15.87,-44.3,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O
491,ZINC000008214418,2006-07-04,In-Stock,2015-08-07,791.115,-0.988,C18H24I3N3O8,1,32,14,0.5,KBAB,Reference,0.0,7.0,8.0,179.0,11.0,-6.41,-17.21,CC(=O)N(C[C@H](O)CO)c1c(I)c(C(=O)NCCO)c(I)c(C(=O)NC[C@H](O)CO)c1I
492,ZINC000004213946,2005-11-15,In-Stock,2015-08-07,405.441,2.364,C22H25F2NO4,4,29,7,0.45,HEAA,Reference,1.0,3.0,4.0,75.0,6.0,5.42,-50.34,O[C@@H](CNC[C@@H](O)[C@@H]1CCc2cc(F)ccc2O1)[C@@H]1CCc2cc(F)ccc2O1
493,ZINC000008577218,2007-03-29,In-Stock,2015-08-07,441.404,0.368,C19H19N7O6,3,32,13,0.21,ICAA,Reference,-2.0,4.0,11.0,218.0,9.0,4.25,-129.29,Nc1nc(O)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2n1
494,ZINC000000002009,2004-07-23,In-Stock,2015-08-07,181.215,0.571,C9H13N2O2+,1,13,4,0.33,ACAA,Reference,1.0,0.0,2.0,33.0,1.0,5.22,-32.73,CN(C)C(=O)Oc1ccc[n+](C)c1
495,ZINC000000901552,2004-07-28,In-Stock,2015-08-07,124.23,0.207,C3H8OS2,0,6,3,1.0,ACEA,Reference,0.0,3.0,3.0,20.0,2.0,-0.07,-2.93,OC[C@H](S)CS
496,ZINC000001530575,2004-10-06,In-Stock,2015-08-07,305.418,3.79,C18H27NO3,1,22,4,0.5,DHAA,Reference,0.0,2.0,3.0,58.0,9.0,6.59,-9.92,COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O
497,ZINC000253530025,2016-02-13,In-Stock,2016-02-27,312.453,3.883,C21H28O2,4,23,2,0.76,DHEA,Reference,0.0,1.0,2.0,37.0,1.0,8.02,-8.51,C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]21CC
498,ZINC000022059268,2008-12-12,In-Stock,2015-08-07,404.42,-2.454,C16H28N4O8,1,28,12,0.75,HAAA,Reference,-2.0,2.0,10.0,175.0,8.0,4.6,-128.85,O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1
499,ZINC000256097222,2016-02-16,For-Sale,2018-02-24,806.937,-2.156,C36H70O19,2,55,19,1.0,KAAE,,,,,,,,,C[C@H](O)COC[C@@H]1O[C@H](O[C@@H]2[C@H](COC[C@H](C)O)O[C@@H](OC[C@H](C)O)[C@H](OC[C@H](C)O)[C@@H]2OC[C@H](C)O)[C@@H](OC[C@H](C)O)[C@H](OC[C@H](C)O)[C@H]1OC[C@@H](C)O
500,ZINC000256433946,2016-02-16,For-Sale,2017-07-16,327.468,4.144,C21H29NO2,4,24,3,0.76,EIEE,,,,,,,,,C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NO)CC[C@@H]4[C@H]3CC[C@@]21CC
501,ZINC000003812984,2005-09-27,In-Stock,2015-08-07,257.377,3.08,C17H23NO,4,19,2,0.65,CGAB,Reference,1.0,2.0,1.0,24.0,0.0,6.55,-40.01,CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13
502,ZINC000000896918,2004-07-28,In-Stock,2015-08-07,305.164,0.288,C6H6Cl2N2O4S2,1,16,10,0.0,DCAA,Reference,0.0,2.0,4.0,120.0,2.0,-4.6,-13.62,NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1
503,ZINC000100004345,2015-08-08,In-Stock,2015-08-08,528.951,9.152,C30H32Cl3NO,4,35,5,0.33,KKAA,Reference,1.0,2.0,1.0,24.0,10.0,17.73,-43.67,CCCCN(CCCC)C[C@@H](O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1/C2=C/c1ccc(Cl)cc1
504,ZINC000011616925,2008-03-01,In-Stock,2015-08-07,477.481,0.982,C23H23N7O5,3,35,12,0.26,JCEA,Reference,-2.0,3.0,11.0,212.0,10.0,8.74,-122.92,C#CC[C@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1
505,ZINC000238809663,2016-02-02,In-Stock,2016-02-16,929.161,8.066,C53H72N2O12+2,6,67,14,0.51,KKBA,,,,,,,,,COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@+]2(C)CCC(=O)OCCCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC
506,ZINC000016159083,2008-08-23,In-Stock,2015-08-07,427.564,4.667,C25H34FN3O2,3,31,6,0.48,IJAA,Reference,1.0,2.0,2.0,46.0,8.0,13.43,-41.12,CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1
507,ZINC000001849548,2004-10-09,In-Stock,2015-08-07,191.139,-1.278,C6H9NO6,2,13,7,1.0,AAAA,Reference,0.0,1.0,6.0,91.0,2.0,-0.14,-6.16,O=[N+]([O-])O[C@@H]1CO[C@@H]2[C@@H](O)CO[C@H]12
508,ZINC000000601281,2005-09-27,In-Stock,2015-08-07,416.526,1.384,C21H32N6O3,3,30,9,0.62,HDAA,Reference,1.0,1.0,7.0,86.0,9.0,8.31,-41.94,CCC(=O)N(c1ccccc1)C1(COC)CCN(CCn2nnn(CC)c2=O)CC1
509,ZINC000000057435,2005-10-05,In-Stock,2015-08-07,260.381,2.851,C16H24N2O,2,19,3,0.56,CFAA,Reference,1.0,3.0,2.0,46.0,2.0,5.47,-32.76,Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1
510,ZINC000066166864,2011-08-20,In-Stock,2015-08-08,482.628,4.773,C30H34N4O2,6,36,6,0.47,JJEA,Reference,0.0,1.0,5.0,72.0,3.0,11.07,-14.16,CCc1cc2c(cc1N1CCC(N3CCOCC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O
511,ZINC000001530806,2004-10-06,In-Stock,2015-08-07,141.17,0.449,C7H11NO2,1,10,3,0.71,ACAA,Reference,0.0,1.0,2.0,46.0,1.0,1.02,-7.66,CC[C@]1(C)CC(=O)NC1=O
512,ZINC000003831006,2005-09-30,In-Stock,2015-08-07,233.699,2.251,C9H16ClN3O2,1,15,6,0.89,BEGA,,,,,,,,,O=NN(CCCl)C(=O)NC1CCCCC1
513,ZINC000100036756,2015-08-08,In-Stock,2016-02-23,318.393,1.063,C18H24NO4+,4,23,5,0.61,DDBA,,,,,,,,,C[N+]1(C)[C@H]2CC(OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@H]12
514,ZINC000001530555,2004-10-06,In-Stock,2015-08-07,225.208,-1.332,C8H11N5O3,2,16,8,0.38,BAAA,Reference,0.0,3.0,7.0,119.0,4.0,-0.6,-19.77,Nc1nc2c(ncn2COCCO)c(=O)[nH]1
515,ZINC000053683151,2010-11-24,In-Stock,2015-08-07,654.606,3.193,C32H40BrN5O5,7,43,11,0.59,KGAA,Reference,0.0,3.0,6.0,118.0,5.0,7.47,-11.52,CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12
516,ZINC000000388462,2004-07-24,In-Stock,2015-08-07,136.15,1.314,C8H8O2,1,10,2,0.12,ADAA,Reference,-1.0,0.0,2.0,40.0,2.0,5.83,-45.42,O=C(O)Cc1ccccc1
517,ZINC000000538658,2004-07-24,In-Stock,2015-08-07,448.95,5.683,C26H25ClN2O3,4,32,6,0.23,IKAA,Reference,0.0,2.0,3.0,69.0,3.0,10.3,-10.89,Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](O)c3cc(Cl)ccc32)c(C)c1
518,ZINC000003920719,2005-10-19,In-Stock,2015-08-07,558.65,6.314,C33H35FN2O5,4,41,8,0.27,KKAA,Reference,-1.0,3.0,6.0,114.0,12.0,14.77,-55.94,CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)O
519,ZINC000003201907,2004-11-07,In-Stock,2015-08-07,271.404,3.383,C18H25NO,4,20,2,0.67,CGAA,Reference,1.0,1.0,1.0,13.0,1.0,8.71,-39.98,COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3
520,ZINC000004474682,2005-12-03,In-Stock,2015-08-07,500.554,4.427,C26H35F3O6,2,35,9,0.58,KIAA,Reference,0.0,3.0,6.0,96.0,12.0,7.99,-13.19,CC(C)OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(C(F)(F)F)c1
521,ZINC000001542113,2004-10-06,In-Stock,2015-08-07,441.535,4.03,C26H27N5O2,5,33,7,0.31,IIEA,Reference,1.0,3.0,4.0,103.0,7.0,10.33,-54.93,N#Cc1ccc2[nH]cc(CCCCN3CCN(c4ccc5oc(C(N)=O)cc5c4)CC3)c2c1
522,ZINC000094566093,2013-07-18,In-Stock,2015-08-08,451.483,1.718,C23H25N5O5,5,33,10,0.35,JDAA,Reference,0.0,1.0,9.0,112.0,4.0,7.52,-19.08,COc1cc2nc(N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)nc(N)c2cc1OC
523,ZINC000000968328,2004-11-08,In-Stock,2015-08-07,357.435,2.491,C18H19N3O3S,3,25,7,0.28,FEAA,Reference,-1.0,0.0,6.0,73.0,7.0,5.41,-39.25,CN(CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)c1ccccn1
524,ZINC000000896484,2004-07-28,In-Stock,2015-08-07,230.098,2.174,C9H9Cl2N3,2,14,5,0.22,BEEA,Reference,0.0,3.0,2.0,38.0,1.0,5.24,-6.24,Clc1cccc(Cl)c1N=C1NCCN1
525,ZINC000003785276,2005-12-03,In-Stock,2015-08-07,330.512,6.471,C22H34O2,0,24,2,0.5,EKAA,Reference,0.0,0.0,2.0,26.0,14.0,15.63,-5.52,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC
526,ZINC000003831051,2005-09-30,In-Stock,2015-08-07,160.237,0.644,C8H18NO2+,0,11,3,0.88,ACBA,Reference,1.0,0.0,2.0,26.0,3.0,7.01,-33.62,CC(=O)O[C@H](C)C[N+](C)(C)C
527,ZINC000000895302,2004-07-28,In-Stock,2015-08-07,108.14,1.179,C7H8O,1,8,1,0.14,ADAA,Reference,0.0,1.0,1.0,20.0,1.0,1.82,-4.38,OCc1ccccc1
528,ZINC000002041302,2004-10-11,In-Stock,2015-08-07,182.172,-3.585,C6H14O6,0,12,6,1.0,AAAA,,,,,,,,,OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
529,ZINC000000006251,2005-09-27,In-Stock,2015-08-07,348.397,2.485,C18H22F2N4O,3,25,7,0.44,EEEA,Reference,1.0,2.0,4.0,55.0,5.0,10.62,-42.89,C=C1CCN([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1
530,ZINC000085537053,2013-02-19,In-Stock,2015-08-08,807.89,3.26,C43H53NO14,6,58,15,0.56,KGAA,Reference,0.0,5.0,14.0,224.0,8.0,8.64,-17.85,CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C
531,ZINC000003927822,2005-10-20,In-Stock,2015-08-07,492.689,4.256,C28H36N4O2S,7,35,7,0.68,JIAA,Reference,1.0,1.0,5.0,57.0,5.0,15.25,-45.32,O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1C[C@@H]1CCCC[C@H]1CN1CCN(c2nsc3ccccc23)CC1
532,ZINC000000002212,2005-09-27,In-Stock,2015-08-07,343.217,4.234,C17H12Cl2N4,4,23,6,0.12,EIAA,Reference,0.0,0.0,4.0,43.0,1.0,9.37,-12.23,Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2
533,ZINC000003938684,2005-10-21,In-Stock,2015-08-07,588.562,1.339,C29H32O13,7,42,13,0.55,KDAA,Reference,0.0,3.0,13.0,160.0,5.0,1.43,-18.49,COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O
534,ZINC000003830569,2005-09-30,In-Stock,2015-08-07,199.162,-1.096,C8H9NO5,2,14,6,0.5,AAAA,Reference,-1.0,1.0,5.0,89.0,2.0,-3.45,-50.23,O=C(O)[C@H]1/C(=C/CO)O[C@@H]2CC(=O)N21
535,ZINC000000001982,2005-09-30,In-Stock,2015-08-07,285.365,2.196,C13H19NO4S,1,19,6,0.46,CEAA,Reference,-1.0,0.0,4.0,77.0,7.0,6.29,-47.92,CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O)cc1
536,ZINC000150338819,2015-08-08,In-Stock,2015-08-08,889.017,8.607,C49H54F2N8O6,10,65,16,0.47,KKAA,,,,,,,,,COC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5nc([C@@H]6[C@H]7CC[C@H](C7)N6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]c5c4)ccc2-3)[nH]1)C(C)C
537,ZINC000003830990,2005-09-30,In-Stock,2015-08-07,170.212,-0.127,C8H14N2O2,1,12,4,0.75,ABAA,Reference,0.0,1.0,2.0,63.0,3.0,2.01,-16.49,CC[C@H](C(N)=O)N1CCCC1=O
538,ZINC000001482094,2004-10-10,In-Stock,2015-08-07,155.285,2.565,C10H21N,1,11,1,1.0,AFAA,Reference,1.0,1.0,0.0,16.0,3.0,5.72,-35.62,CN[C@H](C)CC1CCCCC1
539,ZINC000003831417,2005-11-07,In-Stock,2015-08-07,286.459,5.51,C20H30O,1,21,1,0.5,CKAA,Reference,0.0,1.0,1.0,20.0,5.0,9.94,-4.03,CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1
540,ZINC000003843378,2005-12-18,In-Stock,2015-08-07,144.126,-0.111,C6H8O4,0,10,4,0.33,ABAA,Reference,0.0,0.0,4.0,52.0,2.0,3.49,-5.87,COC(=O)/C=C/C(=O)OC
541,ZINC000000001644,2005-10-04,In-Stock,2015-08-07,186.236,-0.207,C7H10N2O2S,1,12,5,0.14,ABAA,Reference,1.0,2.0,2.0,87.0,2.0,-2.52,-56.83,NCc1ccc(S(N)(=O)=O)cc1
542,ZINC000001532179,2004-10-06,In-Stock,2015-08-07,266.403,3.727,C12H26O4S,0,17,5,1.0,CHEA,Reference,-1.0,0.0,4.0,66.0,12.0,5.91,-39.83,CCCCCCCCCCCCOS(=O)(=O)O
543,ZINC000001532529,2004-10-06,In-Stock,2015-08-07,149.215,0.151,C5H11NO2S,0,9,4,0.8,ACAA,Reference,0.0,1.0,3.0,67.0,4.0,2.25,-40.85,CSCC[C@H](N)C(=O)O
544,ZINC000004213474,2005-11-15,In-Stock,2015-08-07,454.966,3.889,C24H32ClFO5,5,31,7,0.83,JHGA,,,,,,,,,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1
545,ZINC000004097343,2005-11-07,In-Stock,2015-08-07,705.647,5.577,C35H38Cl2N8O4,7,49,14,0.37,KKCA,Reference,0.0,0.0,12.0,104.0,11.0,17.63,-25.57,CC[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O
546,ZINC000003830713,2005-12-03,In-Stock,2015-08-07,352.471,3.251,C20H32O5,1,25,5,0.7,FGAA,Reference,-1.0,2.0,5.0,97.0,12.0,7.59,-49.67,CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O
547,ZINC000001999441,2004-10-10,In-Stock,2016-02-23,405.441,2.364,C22H25F2NO4,4,29,7,0.45,HEAA,Reference,1.0,3.0,4.0,75.0,6.0,5.13,-50.6,O[C@@H](CNC[C@@H](O)[C@@H]1CCc2cc(F)ccc2O1)[C@H]1CCc2cc(F)ccc2O1
548,ZINC000003873371,2005-10-04,In-Stock,2015-08-07,397.758,6.518,C18H15Cl3N2S,3,24,6,0.17,GKAA,Reference,1.0,0.0,3.0,17.0,6.0,14.88,-36.05,Clc1ccc(CS[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
549,ZINC000100024116,2015-08-08,Annotated,2017-04-29,290.832,3.644,C6H6Cl6,1,12,6,1.0,CHGF,,,,,,,,,Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl
550,ZINC000003830986,2005-09-30,In-Stock,2015-08-07,369.368,3.515,C16H14F3N3O2S,3,25,9,0.25,FHAA,Reference,0.0,1.0,4.0,67.0,5.0,5.01,-16.41,Cc1c(OCC(F)(F)F)ccnc1C[S@](=O)c1nc2ccccc2[nH]1
551,ZINC000000020230,2005-09-27,In-Stock,2015-08-07,239.315,1.306,C13H21NO3,1,17,4,0.54,BDAA,Reference,1.0,4.0,3.0,77.0,4.0,-1.44,-39.37,CC(C)(C)NC[C@@H](O)c1ccc(O)c(CO)c1
552,ZINC000014210457,2008-07-05,In-Stock,2015-08-07,519.687,1.711,C27H45N5O5,3,37,10,0.81,KDAA,Reference,0.0,4.0,5.0,150.0,8.0,6.26,-13.33,CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C
553,ZINC000000967566,2004-08-06,In-Stock,2015-08-07,154.253,2.744,C10H18O,3,11,1,1.0,AFAA,Reference,0.0,0.0,1.0,9.0,0.0,5.23,-1.87,CC12CCC(CC1)C(C)(C)O2
554,ZINC000001530810,2004-10-06,In-Stock,2015-08-07,200.053,2.423,C4H3F7O,0,12,8,1.0,BEEA,Reference,0.0,0.0,1.0,9.0,2.0,2.79,-4.2,FCOC(C(F)(F)F)C(F)(F)F
555,ZINC000000155269,2005-09-30,In-Stock,2015-08-07,269.388,3.663,C18H23NO,2,20,2,0.33,CHAA,Reference,1.0,1.0,1.0,13.0,6.0,10.98,-34.54,Cc1ccccc1[C@@H](OCCN(C)C)c1ccccc1
556,ZINC000051951647,2010-11-05,In-Stock,2015-08-07,349.434,3.327,C21H23N3O2,3,26,5,0.19,EGEB,Reference,1.0,4.0,2.0,81.0,7.0,7.62,-51.21,Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C\C(=O)NO)cc1
557,ZINC000003823492,2005-09-29,In-Stock,2015-08-07,297.271,-1.971,C11H15N5O5,3,21,10,0.55,CAAA,Reference,0.0,4.0,10.0,148.0,3.0,-6.28,-16.19,COc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
558,ZINC000018324776,2008-10-05,In-Stock,2015-08-07,488.614,2.07,C23H32N6O4S,4,34,11,0.52,JEAA,Reference,0.0,1.0,8.0,112.0,8.0,6.47,-15.41,CCCc1nc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)nn12
559,ZINC000003830314,2005-09-30,In-Stock,2015-08-07,161.225,0.176,C7H17N2O2+,0,11,4,0.86,ACBA,Reference,1.0,1.0,2.0,52.0,3.0,2.05,-34.8,C[C@H](C[N+](C)(C)C)OC(N)=O
560,ZINC000040430143,2010-04-07,In-Stock,2015-08-07,434.471,2.347,C24H23FN4O3,5,32,8,0.33,IEAA,Reference,0.0,1.0,4.0,86.0,4.0,9.09,-26.97,O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)C2CC2)CC1
561,ZINC000003776970,2005-09-26,In-Stock,2015-08-07,389.433,0.707,C18H19N3O5S,3,27,9,0.28,GCAA,Reference,-1.0,3.0,7.0,135.0,5.0,2.23,-66.53,C/C=C/C1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1
562,ZINC000000394284,2004-07-24,In-Stock,2015-08-07,198.218,0.427,C10H14O4,1,14,4,0.4,ACAA,Reference,0.0,2.0,4.0,58.0,5.0,-0.62,-12.06,COc1ccccc1OC[C@@H](O)CO
563,ZINC000000003911,2005-09-26,In-Stock,2015-08-07,301.386,2.957,C18H23NO3,2,22,4,0.33,DFCA,Reference,1.0,4.0,3.0,77.0,7.0,3.38,-55.06,C[C@H](CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
564,ZINC000000896703,2005-09-26,In-Stock,2015-08-07,203.241,1.333,C12H13NO2,2,15,3,0.33,BDAA,Reference,0.0,0.0,2.0,37.0,1.0,5.44,-8.38,CN1C(=O)C[C@@](C)(c2ccccc2)C1=O
565,ZINC000100009280,2015-08-08,In-Stock,2015-08-08,289.375,1.931,C17H23NO3,3,21,4,0.59,CDAA,Reference,1.0,2.0,3.0,50.0,4.0,7.6,-37.01,CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2
566,ZINC000003915154,2005-10-18,In-Stock,2015-08-07,540.697,4.704,C32H44O7,6,39,7,0.78,KJEA,Reference,0.0,1.0,7.0,99.0,5.0,13.76,-12.76,CC(C)C(=O)OCC(=O)[C@@]12O[C@H](C3CCCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C
567,ZINC000000049153,2004-07-23,In-Stock,2015-08-07,265.362,0.608,C12H17N4OS+,2,18,6,0.42,CCAA,Reference,1.0,2.0,5.0,75.0,4.0,2.86,-35.89,Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1
568,ZINC000003874498,2005-10-05,In-Stock,2015-08-07,317.223,2.448,C12H10F3N3O4,2,22,10,0.33,DEBA,Reference,0.0,1.0,4.0,92.0,2.0,5.28,-9.79,CC1(C)NC(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1=O
569,ZINC000000897240,2005-09-27,In-Stock,2015-08-07,381.907,4.298,C22H24ClN3O,4,27,5,0.36,GIAA,Reference,1.0,1.0,3.0,39.0,3.0,12.75,-39.01,CN1CCC[C@H](n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1
570,ZINC000000002101,2004-07-23,In-Stock,2015-08-07,172.209,-0.084,C6H8N2O2S,1,11,5,0.0,ABAA,Reference,0.0,2.0,3.0,86.0,1.0,-2.67,-10.55,Nc1ccc(S(N)(=O)=O)cc1
571,ZINC000000000096,2005-09-30,In-Stock,2015-08-07,319.246,3.928,C16H19BrN2,2,19,3,0.31,DHAA,Reference,1.0,1.0,1.0,17.0,5.0,9.83,-41.27,CN(C)CC[C@@H](c1ccc(Br)cc1)c1ccccn1
572,ZINC000000004893,2005-11-15,In-Stock,2015-08-07,285.774,4.259,C17H16ClNO,4,20,3,0.29,CIAA,Reference,0.0,0.0,2.0,12.0,0.0,7.66,-4.41,CN1C[C@H]2c3ccccc3Oc3ccc(Cl)cc3[C@@H]2C1
573,ZINC000000968345,2005-10-05,In-Stock,2015-08-07,212.249,0.795,C10H16N2O3,1,15,5,0.7,BCAA,Reference,0.0,2.0,3.0,75.0,3.0,0.45,-4.92,CC[C@H](C)C1(CC)C(=O)NC(=O)NC1=O
574,ZINC000001530611,2004-10-06,In-Stock,2015-08-07,266.388,3.533,C18H22N2,3,20,2,0.33,CHAA,Reference,1.0,1.0,1.0,19.0,4.0,10.51,-39.34,CNCCCN1c2ccccc2CCc2ccccc21
575,ZINC000000005152,2004-07-23,In-Stock,2015-08-07,159.229,1.082,C8H17NO2,0,11,3,0.88,ADAA,Reference,0.0,1.0,2.0,67.0,5.0,3.43,-53.45,CC(C)C[C@H](CN)CC(=O)O
576,ZINC000003873832,2005-10-04,In-Stock,2016-03-01,545.703,4.447,C27H33N2O6S2+,3,37,10,0.3,KIEB,,,,,,,,,CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2cc(S(=O)(=O)O)ccc2S(=O)(=O)O)cc1
577,ZINC000004217732,2005-11-15,In-Stock,2015-08-07,390.467,4.31,C20H32F2O5,2,27,7,0.9,GIAA,Reference,-1.0,1.0,5.0,86.0,11.0,10.59,-49.47,CCCCC(F)(F)[C@@]1(O)CC[C@H]2[C@@H](CC(=O)[C@@H]2CCCCCCC(=O)O)O1
578,ZINC000003798757,2005-09-26,In-Stock,2015-08-07,416.518,2.383,C23H32N2O5,3,30,7,0.61,HEAA,Reference,-1.0,1.0,6.0,98.0,9.0,11.2,-48.11,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCC[C@@H]21
579,ZINC000003830945,2005-09-30,In-Stock,2015-08-07,821.141,-1.627,C19H26I3N3O9,1,34,15,0.53,KAAA,,,,,,,,,CC(=O)N(C[C@H](O)CO)c1c(I)c(C(=O)NC[C@H](O)CO)c(I)c(C(=O)NC[C@@H](O)CO)c1I
580,ZINC000000895154,2004-07-28,In-Stock,2015-08-07,241.251,-1.7,C9H15N5O3,2,17,8,0.56,BAAB,Reference,0.0,6.0,7.0,136.0,2.0,-4.23,-20.02,C[C@@H](O)[C@H](O)[C@@H]1CNc2[nH]c(N)nc(=O)c2N1
581,ZINC000004097416,2005-11-07,In-Stock,2016-02-24,310.481,4.87,C22H30O,4,23,1,0.73,DJEA,Reference,0.0,1.0,1.0,20.0,1.0,9.93,-2.78,C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3C(=C)C[C@@]21CC
582,ZINC000000000215,2005-09-30,In-Stock,2015-08-07,205.301,2.6,C13H19NO,1,15,2,0.46,BFAA,Reference,1.0,1.0,1.0,21.0,5.0,7.94,-32.88,CCN(CC)[C@@H](C)C(=O)c1ccccc1
583,ZINC000001530580,2004-10-06,In-Stock,2015-08-07,406.482,3.738,C24H26N2O4,4,30,6,0.25,HHAA,Reference,1.0,3.0,4.0,80.0,10.0,7.36,-51.3,COc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12
584,ZINC000003079342,2004-11-06,In-Stock,2015-08-07,147.198,-0.212,C6H15N2O2+,0,10,4,0.83,ABBA,Reference,1.0,1.0,2.0,52.0,3.0,1.49,-35.61,C[N+](C)(C)CCOC(N)=O
585,ZINC000008214402,2006-07-04,In-Stock,2015-08-07,384.586,4.164,C20H36N2O3S,1,26,6,0.7,GIEA,Reference,1.0,3.0,3.0,70.0,14.0,7.58,-46.02,CCCCCCCN(CC)CCC[C@@H](O)c1ccc(NS(C)(=O)=O)cc1
586,ZINC000000001795,2005-09-30,In-Stock,2015-08-07,123.111,0.78,C6H5NO2,1,9,3,0.0,ACAA,Reference,-1.0,0.0,3.0,53.0,1.0,3.29,-45.98,O=C(O)c1cccnc1
587,ZINC000001850374,2004-10-09,In-Stock,2015-08-07,391.294,6.113,C21H20Cl2O3,3,26,5,0.29,GKAA,Reference,0.0,0.0,3.0,35.0,6.0,13.92,-7.41,CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)OCc1cccc(Oc2ccccc2)c1
588,ZINC000000896543,2005-09-27,In-Stock,2015-08-07,414.346,3.441,C17H20F6N2O3,2,28,11,0.59,HGAA,Reference,1.0,2.0,3.0,64.0,7.0,7.54,-50.27,O=C(NC[C@H]1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F
589,ZINC000003795098,2005-09-26,In-Stock,2015-08-07,243.219,-2.563,C9H13N3O5,2,17,8,0.56,BAAA,Reference,0.0,4.0,8.0,130.0,2.0,-7.0,-24.51,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
590,ZINC000100015775,2015-08-08,In-Stock,2015-08-08,332.464,2.854,C20H30NO3+,3,24,4,0.65,EFBA,Reference,1.0,1.0,3.0,46.0,5.0,9.36,-34.69,CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@@H](CO)c1ccccc1)C2
591,ZINC000242437512,2016-02-03,In-Stock,2016-02-16,477.603,-3.327,C21H43N5O7,3,33,12,1.0,JAAA,Reference,5.0,8.0,7.0,213.0,7.0,-6.96,-418.27,CN[C@H](C)[C@@H]1CC[C@H](N)[C@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3OC[C@](C)(O)[C@H](NC)[C@@H]3O)[C@@H](N)C[C@H]2N)O1
592,ZINC000000599985,2005-12-22,In-Stock,2015-08-07,94.117,0.664,C5H6N2,1,7,2,0.0,ACAA,Reference,1.0,1.0,1.0,40.0,0.0,1.07,-28.73,Nc1ccncc1
593,ZINC000019364229,2008-10-31,In-Stock,2015-08-07,388.895,3.148,C21H25ClN2O3,3,27,6,0.38,GGAA,Reference,-1.0,0.0,5.0,55.0,8.0,9.63,-49.94,O=C(O)COCCN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1
594,ZINC000001530703,2004-10-06,In-Stock,2015-08-07,270.354,1.987,C12H18N2O3S,1,18,6,0.42,CDEA,Reference,-1.0,1.0,3.0,81.0,4.0,2.81,-58.24,CCCCN/C(O)=N/S(=O)(=O)c1ccc(C)cc1
595,ZINC000003830441,2005-09-30,In-Stock,2015-08-07,575.632,-1.397,C17H17N7O8S4,4,36,19,0.41,KAAA,Reference,-2.0,2.0,16.0,225.0,9.0,2.44,-124.7,CO[C@@]1(NC(=O)C2SC(=C(C(N)=O)C(=O)O)S2)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]21
596,ZINC000096006013,2014-03-19,In-Stock,2015-08-08,929.161,8.066,C53H72N2O12+2,6,67,14,0.51,KKBB,,,,,,,,,COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC
597,ZINC000009212654,2007-08-14,In-Stock,2015-08-07,300.442,5.603,C20H28O2,1,22,2,0.45,DKAB,Reference,-1.0,0.0,2.0,40.0,5.0,11.46,-53.24,CC1=C(/C=C/C(C)=C\C=C/C(C)=C\C(=O)O)C(C)(C)CCC1
598,ZINC000000000242,2005-09-30,In-Stock,2015-08-07,270.376,2.923,C17H22N2O,2,20,3,0.35,CFAA,Reference,1.0,1.0,2.0,26.0,6.0,9.11,-35.43,CN(C)CCO[C@@](C)(c1ccccc1)c1ccccn1
599,ZINC000003812863,2005-09-27,In-Stock,2015-08-07,405.495,1.235,C21H31N3O5,2,29,8,0.57,HDAA,Reference,0.0,2.0,5.0,144.0,12.0,9.1,-107.47,NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O
600,ZINC000000968257,2005-09-27,In-Stock,2015-08-07,277.411,4.169,C20H23N,3,21,1,0.3,CICA,Reference,1.0,1.0,0.0,4.0,3.0,12.76,-36.7,CN(C)CCC=C1c2ccccc2CCc2ccccc21
601,ZINC000000895103,2005-10-03,In-Stock,2015-08-07,119.12,-1.221,C4H9NO3,0,8,4,0.75,AAAA,Reference,0.0,2.0,3.0,88.0,2.0,-2.11,-39.97,C[C@@H](O)[C@H](N)C(=O)O
602,ZINC000008214681,2006-07-04,In-Stock,2016-02-24,581.58,-7.742,C21H39N7O12,3,40,19,0.86,KAEA,,,,,,,,,CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](NC(=N)N)[C@H](O)[C@@H](NC(=N)N)[C@H](O)[C@H]3O)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O
603,ZINC000002016037,2005-11-16,In-Stock,2015-08-07,437.779,7.016,C20H15Cl3N2OS,4,27,7,0.15,IKAA,Reference,0.0,0.0,4.0,27.0,6.0,13.94,-7.27,Clc1ccc([C@H](Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1
604,ZINC000003882036,2005-10-05,In-Stock,2015-08-07,394.439,0.62,C21H27FO6,4,28,7,0.71,GCEA,Reference,0.0,4.0,6.0,115.0,2.0,0.93,-18.31,C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO
605,ZINC000000643046,2004-07-25,In-Stock,2015-08-07,504.636,-0.018,C24H40N8O4,4,36,12,0.75,KBAA,Reference,0.0,4.0,12.0,145.0,12.0,4.57,-14.71,OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1
606,ZINC000001530579,2004-10-06,In-Stock,2015-08-07,406.482,3.738,C24H26N2O4,4,30,6,0.25,HHAA,Reference,1.0,3.0,4.0,80.0,10.0,7.39,-51.43,COc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]c3ccccc3c12
607,ZINC000000002005,2004-07-23,In-Stock,2015-08-07,123.115,0.36,C5H5N3O,1,9,4,0.0,ACAA,Reference,0.0,1.0,3.0,68.0,1.0,-2.3,-8.49,N=C(O)c1cnccn1
608,ZINC000000518554,2004-07-24,In-Stock,2015-08-07,272.253,-1.429,C12H16O7,2,19,7,0.5,CAAA,Reference,0.0,5.0,7.0,119.0,3.0,-7.72,-8.64,OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
609,ZINC000001997127,2004-10-10,In-Stock,2015-08-07,259.265,0.03,C13H13N3O3,3,19,6,0.31,CCAA,Reference,0.0,2.0,4.0,92.0,1.0,1.16,-21.26,Nc1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O
610,ZINC000000395010,2004-07-24,In-Stock,2015-08-07,166.176,1.487,C9H10O3,1,12,3,0.22,ADAA,Reference,0.0,1.0,3.0,46.0,1.0,3.84,-7.84,COC(=O)c1ccc(C)cc1O
611,ZINC000014261579,2008-07-06,In-Stock,2015-08-07,540.697,4.704,C32H44O7,6,39,7,0.78,KJEB,Reference,0.0,1.0,7.0,99.0,5.0,13.74,-13.38,CC(C)C(=O)OCC(=O)[C@@]12O[C@@H](C3CCCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C
612,ZINC000005133378,2006-01-23,In-Stock,2015-08-07,110.112,1.098,C6H6O2,1,8,2,0.0,ADAA,Reference,0.0,2.0,2.0,40.0,0.0,-1.23,-5.14,Oc1ccc(O)cc1
613,ZINC000000402954,2005-11-07,In-Stock,2015-08-07,285.343,1.63,C17H19NO3,5,21,4,0.59,CDAA,Reference,1.0,2.0,3.0,50.0,0.0,5.49,-59.99,CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5
614,ZINC000017285872,2008-09-18,In-Stock,2015-08-07,290.403,4.468,C18H26O3,1,21,3,0.5,CIAA,Reference,0.0,0.0,3.0,35.0,9.0,10.74,-7.64,CCCC[C@H](CC)COC(=O)/C=C\c1ccc(OC)cc1
615,ZINC000003873936,2005-10-04,In-Stock,2015-08-07,532.472,4.463,C26H31Cl2N5O3,5,36,10,0.46,KICA,Reference,1.0,1.0,7.0,66.0,8.0,13.24,-45.42,CC(C)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4cncn4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
616,ZINC000001532728,2004-10-06,In-Stock,2015-08-07,118.156,-0.223,C5H12NO2+,0,8,3,0.8,ABEA,Reference,0.0,0.0,2.0,40.0,2.0,5.26,-31.55,C[N+](C)(C)CC(=O)O
617,ZINC000003981610,2005-10-28,In-Stock,2015-08-07,328.413,-0.139,C15H28N4O4,1,23,8,0.8,EBAA,Reference,0.0,5.0,4.0,153.0,7.0,3.82,-63.0,CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)O)C[C@H]1NC(=N)N
618,ZINC000096942201,2014-06-09,In-Stock,2015-08-08,384.259,3.964,C18H19Cl2NO4,2,25,7,0.33,GHAA,Reference,0.0,1.0,5.0,64.0,4.0,10.56,-14.08,CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl
619,ZINC000000016154,2004-07-23,In-Stock,2015-08-07,303.337,3.588,C16H18FN3O2,2,22,6,0.19,DHAA,Reference,0.0,3.0,4.0,76.0,5.0,4.46,-8.6,CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N
620,ZINC000003990451,2005-10-30,In-Stock,2015-08-07,496.633,3.898,C26H32N4O4S,3,35,9,0.35,JHAA,Reference,-1.0,0.0,7.0,103.0,12.0,9.14,-55.75,CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1
621,ZINC000001530938,2004-10-06,In-Stock,2015-08-07,270.76,2.421,C13H19ClN2O2,1,18,5,0.46,CEAB,Reference,1.0,2.0,3.0,56.0,6.0,7.11,-37.79,CCN(CC)CCOC(=O)c1ccc(N)cc1Cl
622,ZINC000003831138,2005-09-30,In-Stock,2015-08-07,382.541,3.954,C22H38O5,1,27,5,0.82,GHAA,Reference,0.0,2.0,5.0,83.0,13.0,8.18,-10.55,CCCC[C@@](C)(O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC
623,ZINC000000897256,2005-09-30,In-Stock,2015-08-07,344.411,2.223,C19H24N2O4,2,25,6,0.32,EEAA,Reference,1.0,4.0,4.0,95.0,9.0,2.04,-45.5,COc1ccc(C[C@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1
624,ZINC000012503177,2008-05-16,In-Stock,2016-03-05,354.487,3.475,C20H34O5,1,25,5,0.8,FGAB,Reference,-1.0,2.0,5.0,97.0,13.0,7.51,-50.8,CCCCC[C@H](O)/C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O
625,ZINC000052245489,2010-11-07,For-Sale,2018-11-06,506.709,4.051,C27H42N2O5S,3,35,8,0.74,KIEE,,,,,,,,,C/C(=C\c1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@H](C)C(=O)C(C)(C)[C@H](O)CC(=O)N1
626,ZINC000021982937,2008-12-11,In-Stock,2015-08-07,513.5,-1.099,C22H31N3O11,1,36,14,0.5,KAAB,Reference,-4.0,1.0,13.0,220.0,20.0,10.33,-293.48,O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)[C@@H](COCc1ccccc1)C(=O)O
627,ZINC000003982483,2005-10-29,In-Stock,2015-08-07,406.545,-0.857,C18H34N2O6S,2,27,9,0.94,HBAA,Reference,1.0,6.0,7.0,123.0,7.0,-1.11,-37.96,CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@@H](C)O)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1
628,ZINC000000901159,2004-07-28,In-Stock,2015-08-07,60.096,0.387,C3H8O,0,4,1,1.0,ACAA,Reference,0.0,1.0,1.0,20.0,0.0,-0.41,-2.38,CC(C)O
629,ZINC000000895457,2005-10-04,In-Stock,2015-08-07,131.131,-1.206,C5H9NO3,1,9,4,0.8,AAAA,Reference,0.0,2.0,3.0,76.0,1.0,-0.95,-37.9,O=C(O)[C@H]1C[C@H](O)CN1
630,ZINC000000000346,2004-07-23,In-Stock,2015-08-07,318.437,2.456,C19H28NO3+,3,23,4,0.63,DEBA,Reference,1.0,1.0,3.0,46.0,4.0,11.1,-35.79,C[N+]1(C)CC[C@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1
631,ZINC000095616601,2014-01-13,In-Stock,2015-08-08,383.408,1.785,C19H21N5O4,4,28,9,0.32,GDAA,Reference,0.0,1.0,8.0,106.0,4.0,5.63,-16.33,COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(N)c2cc1OC
632,ZINC000003812988,2005-09-27,In-Stock,2015-08-07,327.468,3.366,C21H29NO2,5,24,3,0.71,EGAA,Reference,1.0,3.0,2.0,44.0,2.0,6.33,-40.88,Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3
633,ZINC000000538273,2005-09-26,In-Stock,2015-08-07,361.373,1.544,C18H20FN3O4,4,26,8,0.44,FDAA,Reference,-1.0,0.0,7.0,77.0,2.0,5.82,-62.76,C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
634,ZINC000169344691,2015-08-08,In-Stock,2016-02-28,729.908,3.438,C40H59NO11,10,52,12,0.88,KGEA,,,,,,,,,C=C1C[C@@H]2CC[C@@]34C[C@H]5O[C@H]6[C@@H](O3)[C@H]3O[C@H](CC[C@@H]3O[C@H]6[C@H]5O4)CC(=O)C[C@H]3[C@H](C[C@H]4O[C@@H](CC[C@@H]1O2)C[C@@H](C)C4=C)O[C@H](C[C@H](O)CN)[C@@H]3OC
635,ZINC000034806477,2009-09-25,In-Stock,2015-08-07,464.444,3.992,C21H16F4N4O2S,3,32,11,0.24,JHEA,Reference,0.0,1.0,4.0,76.0,3.0,11.24,-22.68,CNC(=O)c1ccc(N2C(=S)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)C2(C)C)cc1F
636,ZINC000014263142,2008-07-06,In-Stock,2015-08-07,298.379,2.841,C16H26O5,5,21,5,1.0,CFGA,Reference,0.0,0.0,5.0,46.0,1.0,5.54,-6.09,CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3
637,ZINC000000015515,2005-09-26,In-Stock,2015-08-07,287.363,1.923,C16H21N3O2,3,21,5,0.44,CDAA,Reference,1.0,3.0,2.0,58.0,5.0,6.05,-51.3,CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12
638,ZINC000001482113,2004-11-08,In-Stock,2015-08-07,147.13,-0.737,C5H9NO4,0,10,5,0.6,ABAA,Reference,-1.0,1.0,4.0,107.0,4.0,1.74,-74.26,N[C@@H](CCC(=O)O)C(=O)O
639,ZINC000006036847,2006-03-02,In-Stock,2015-08-07,135.21,1.576,C9H13N,1,10,1,0.33,ADAA,Reference,1.0,1.0,0.0,27.0,2.0,4.01,-39.3,C[C@@H](N)Cc1ccccc1
640,ZINC000000000347,2005-09-30,In-Stock,2015-08-07,312.417,2.318,C18H24N4O,4,23,5,0.56,DEAB,Reference,1.0,2.0,3.0,51.0,2.0,7.37,-39.38,CN1[C@H]2CCC[C@@H]1CC(NC(=O)c1nn(C)c3ccccc13)C2
641,ZINC000095616600,2014-01-13,In-Stock,2015-08-08,387.44,1.057,C19H25N5O4,4,28,9,0.53,GDAA,Reference,0.0,1.0,8.0,103.0,4.0,5.69,-19.67,COc1cc2nc(N3CCN(C(=O)[C@H]4CCCO4)CC3)nc(N)c2cc1OC
642,ZINC000003985982,2005-10-30,In-Stock,2015-08-07,414.498,3.125,C24H30O6,6,30,6,0.79,HGEA,Reference,0.0,0.0,6.0,82.0,1.0,10.31,-22.09,COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24CCC(=O)O4)[C@H]13
643,ZINC000003812989,2005-09-27,In-Stock,2015-08-07,357.45,1.707,C21H27NO4,6,26,5,0.71,FDAA,Reference,1.0,4.0,4.0,74.0,2.0,3.2,-48.38,Oc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@@]4(O)[C@@H](C2)N(CC2CCC2)CC[C@]314
644,ZINC000100005670,2015-08-08,In-Stock,2015-08-08,259.063,-0.277,C7H7BrN4O2,2,14,7,0.29,CBAA,Reference,0.0,1.0,5.0,72.0,0.0,3.13,-11.76,Cn1c(=O)c2[nH]c(Br)nc2n(C)c1=O
645,ZINC000003944422,2005-10-21,In-Stock,2015-08-07,720.962,5.905,C37H48N6O5S2,4,50,13,0.43,KKAA,Reference,0.0,4.0,9.0,145.0,17.0,12.14,-17.77,CC(C)c1nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1
646,ZINC000003875334,2005-10-05,In-Stock,2015-08-07,402.487,2.561,C23H30O6,4,29,6,0.74,HFEA,Reference,0.0,1.0,6.0,97.0,3.0,8.61,-15.46,CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C
647,ZINC000011616882,2008-03-01,In-Stock,2015-08-07,386.48,4.639,C22H18N4OS,4,28,6,0.05,GJAB,Reference,0.0,2.0,4.0,70.0,5.0,8.96,-14.32,CNC(=O)c1ccccc1Sc1ccc2c(/C=C\c3ccccn3)n[nH]c2c1
648,ZINC000001530939,2004-10-06,In-Stock,2015-08-07,343.471,3.485,C20H29N3O2,2,25,5,0.5,EGAA,Reference,1.0,2.0,3.0,55.0,10.0,7.66,-43.15,CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1
649,ZINC000003831139,2005-09-30,In-Stock,2015-08-07,273.357,2.01,C15H15NO2S,2,19,4,0.13,CEAA,Reference,0.0,1.0,2.0,60.0,5.0,4.53,-19.56,NC(=O)C[S@](=O)C(c1ccccc1)c1ccccc1
650,ZINC000000003642,2005-10-04,In-Stock,2015-08-07,287.359,3.383,C17H21NO3,3,21,4,0.47,CGAA,Reference,-1.0,1.0,3.0,65.0,4.0,9.09,-51.6,CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)O)OCC3
651,ZINC000003831586,2005-09-30,In-Stock,2015-08-07,294.442,4.121,C20H26N2,3,22,2,0.4,CIAA,Reference,1.0,1.0,1.0,7.0,4.0,13.18,-37.53,C[C@@H](CN(C)C)CN1c2ccccc2CCc2ccccc21
652,ZINC000000007601,2005-09-30,In-Stock,2015-08-07,239.315,1.306,C13H21NO3,1,17,4,0.54,BDAA,Reference,1.0,4.0,3.0,77.0,4.0,-1.37,-38.6,CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1
653,ZINC000242548690,2016-02-03,In-Stock,2016-02-16,780.949,2.218,C41H64O14,8,55,14,0.93,KEAA,,,,,,,,,C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@]5(C)[C@H]6C[C@@H](O)[C@]7(C)[C@@H](C8=CC(=O)OC8)CC[C@]7(O)[C@@H]6CC[C@@H]5C4)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O
654,ZINC000000000740,2004-07-23,In-Stock,2015-08-07,300.745,2.472,C16H13ClN2O2,3,21,5,0.12,DEAA,Reference,0.0,1.0,3.0,52.0,1.0,2.7,-8.89,CN1C(=O)[C@H](O)N=C(c2ccccc2)c2cc(Cl)ccc21
655,ZINC000000968305,2005-09-30,In-Stock,2015-08-07,239.362,3.75,C17H21N,2,18,1,0.29,BHAA,Reference,1.0,1.0,0.0,4.0,5.0,11.15,-36.8,C[C@@H](Cc1ccccc1)N(C)Cc1ccccc1
656,ZINC000000000469,2005-10-05,In-Stock,2015-08-07,211.261,1.129,C11H17NO3,1,15,4,0.45,BDAA,Reference,1.0,4.0,3.0,77.0,4.0,-2.27,-43.77,CC(C)NC[C@@H](O)c1cc(O)cc(O)c1
657,ZINC000001530981,2004-10-06,In-Stock,2015-08-07,291.438,4.877,C21H25N,2,22,1,0.33,CJEA,Reference,1.0,1.0,0.0,4.0,4.0,14.11,-41.53,CN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12
658,ZINC000008466459,2006-07-26,In-Stock,2015-08-07,149.237,1.837,C10H15N,1,11,1,0.4,ADAA,Reference,1.0,1.0,0.0,16.0,3.0,5.74,-34.57,CN[C@H](C)Cc1ccccc1
659,ZINC000003819392,2005-09-29,In-Stock,2015-08-07,422.424,2.443,C20H19FN8O2,4,31,11,0.15,HEAA,Reference,0.0,2.0,9.0,138.0,4.0,8.08,-17.07,COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N
660,ZINC000242437513,2016-02-03,In-Stock,2016-02-16,477.603,-3.327,C21H43N5O7,3,33,12,1.0,JAAA,Reference,5.0,8.0,7.0,213.0,7.0,-6.09,-414.45,CN[C@H](C)[C@@H]1CC[C@H](N)[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O[C@@H]3OC[C@](C)(O)[C@H](NC)[C@@H]3O)[C@@H]2O)O1
661,ZINC000030691797,2009-04-01,In-Stock,2015-08-07,349.393,4.438,C23H15N3O,4,27,4,0.0,EIEA,Reference,0.0,0.0,4.0,58.0,3.0,12.48,-16.52,N#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccccc2)c1=O
662,ZINC000003873921,2005-10-04,In-Stock,2015-08-07,437.451,2.625,C18H15NO8S2,3,29,11,0.06,IFAA,Reference,-2.0,0.0,9.0,145.0,7.0,2.46,-98.88,O=S(=O)(O)Oc1ccc(C(c2ccc(OS(=O)(=O)O)cc2)c2ccccn2)cc1
663,ZINC000003812862,2005-09-27,In-Stock,2015-08-07,235.069,-1.663,C3H11NO7P2,0,13,10,1.0,BAAA,High pH (8.4),-3.0,2.0,7.0,174.0,4.0,-6.1,-307.46,NCCC(O)(P(=O)(O)O)P(=O)(O)O
664,ZINC000004097440,2005-11-07,In-Stock,2016-03-04,427.368,3.412,C22H28Cl2O4,4,28,6,0.73,IGGB,,,,,,,,,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl
665,ZINC000006467621,2006-03-31,In-Stock,2015-08-07,274.301,2.477,C13H10N2O3S,3,19,6,0.0,CEAA,Reference,-1.0,1.0,4.0,85.0,2.0,3.16,-50.86,O=S(=O)(O)c1ccc2[nH]c(-c3ccccc3)nc2c1
666,ZINC000000968256,2004-08-06,In-Stock,2015-08-07,151.253,1.914,C10H17N,4,11,1,1.0,ADAA,Reference,1.0,1.0,0.0,27.0,0.0,3.78,-41.36,NC12CC3CC(CC(C3)C1)C2
667,ZINC000016052277,2008-08-17,In-Stock,2015-08-07,444.44,0.702,C22H24N2O8,4,32,10,0.41,ICEA,Reference,-1.0,5.0,8.0,188.0,2.0,0.91,-90.58,C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(=N)O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21
668,ZINC000003830339,2005-09-30,In-Stock,2015-08-07,291.391,2.333,C17H25NO3,2,21,4,0.59,CEAA,Reference,1.0,2.0,3.0,63.0,5.0,5.24,-45.68,CC(C)(C)NC[C@H](O)COc1cccc2c1CCCC2=O
669,ZINC000028639340,2009-03-05,In-Stock,2015-08-07,700.791,4.573,C37H42F2N8O4,7,51,14,0.41,KJCB,Reference,0.0,1.0,12.0,115.0,12.0,17.14,-20.97,CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O
670,ZINC000006733300,2006-04-21,In-Stock,2015-08-07,195.693,2.589,C11H14ClN,2,13,2,0.45,AFAA,Reference,1.0,1.0,0.0,16.0,0.0,6.23,-44.9,C[C@H]1CNCCc2ccc(Cl)cc21
671,ZINC000003833846,2005-09-30,In-Stock,2015-08-07,567.796,4.748,C32H45N3O4S,4,40,8,0.56,KJAA,Reference,1.0,5.0,5.0,103.0,9.0,10.08,-55.13,Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C
672,ZINC000000000490,2004-07-23,In-Stock,2015-08-07,152.149,1.179,C8H8O3,1,11,3,0.12,ADAA,Reference,0.0,1.0,3.0,46.0,1.0,3.18,-8.17,COC(=O)c1ccccc1O
673,ZINC000100037890,2015-08-08,In-Stock,2015-08-08,315.417,1.158,C18H25N3O2,6,23,5,0.89,DDEA,,,,,,,,,N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2
674,ZINC000000001281,2005-09-26,In-Stock,2015-08-07,296.153,4.364,C14H11Cl2NO2,2,19,5,0.07,CIAA,Reference,-1.0,1.0,3.0,52.0,4.0,8.81,-48.23,O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl
675,ZINC000003827556,2005-09-29,In-Stock,2015-08-07,440.765,1.918,C18H12ClF3N4O4,4,30,12,0.17,IDAA,Reference,-1.0,2.0,8.0,124.0,3.0,3.37,-60.8,Nc1nc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CC(O)C4)c(Cl)c32)c(F)cc1F
676,ZINC000000643114,2005-09-27,In-Stock,2015-08-07,365.842,2.083,C16H16ClN3O3S,3,24,8,0.19,FEAA,Reference,0.0,2.0,4.0,92.0,3.0,3.93,-19.42,C[C@@H]1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
677,ZINC000004428529,2005-11-28,In-Stock,2015-08-07,314.469,4.724,C21H30O2,4,23,2,0.81,DJEA,Reference,0.0,0.0,2.0,34.0,1.0,10.61,-9.96,CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
678,ZINC000003830944,2005-09-30,In-Stock,2015-08-07,821.141,-1.627,C19H26I3N3O9,1,34,15,0.53,KAAA,,,,,,,,,CC(=O)N(C[C@@H](O)CO)c1c(I)c(C(=O)NC[C@H](O)CO)c(I)c(C(=O)NC[C@H](O)CO)c1I
679,ZINC000003581355,2004-11-08,In-Stock,2015-08-07,131.175,0.444,C6H13NO2,0,9,3,0.83,ACAA,Reference,0.0,1.0,2.0,67.0,3.0,2.19,-38.05,CC[C@H](C)[C@H](N)C(=O)O
680,ZINC000000014257,2004-07-23,In-Stock,2015-08-07,203.241,1.333,C12H13NO2,2,15,3,0.33,BDAA,Reference,0.0,0.0,2.0,37.0,1.0,5.45,-8.3,CN1C(=O)C[C@](C)(c2ccccc2)C1=O
681,ZINC000095915244,2014-01-30,Annotated,2015-08-08,412.658,6.612,C28H44O2,3,30,2,0.71,HKEF,,,,,,,,,C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C\[C@H](C)C(C)C)C[C@@H](O)C[C@@H]1O
682,ZINC000019168887,2008-10-27,In-Stock,2015-08-07,226.232,-0.053,C10H14N2O4,1,16,6,0.3,BBCA,Reference,-1.0,4.0,6.0,118.0,4.0,-1.28,-43.93,C[C@@](Cc1ccc(O)c(O)c1)(NN)C(=O)O
683,ZINC000003953037,2005-10-24,In-Stock,2015-08-07,383.517,0.087,C12H21N3O5S3,2,23,11,0.67,GCAA,Reference,0.0,2.0,7.0,118.0,7.0,-3.85,-18.15,CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
684,ZINC000018279854,2008-10-05,In-Stock,2015-08-07,263.2,-1.289,C9H11F2N3O4,2,18,9,0.56,CAAA,Reference,0.0,3.0,7.0,110.0,2.0,-4.82,-23.33,Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
685,ZINC000000643143,2004-07-25,In-Stock,2015-08-07,531.44,4.206,C26H28Cl2N4O4,5,36,10,0.38,KICA,Reference,0.0,0.0,7.0,69.0,7.0,12.13,-17.17,CC(=O)N1CCN(c2ccc(OC[C@@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
686,ZINC000008143866,2006-07-01,In-Stock,2015-08-07,807.114,-2.016,C18H24I3N3O9,1,33,15,0.5,KAAA,,,,,,,,,O=C(NC[C@H](O)CO)c1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(N(CCO)C(=O)CO)c1I
687,ZINC000004098633,2005-11-07,In-Stock,2015-08-07,390.388,0.447,C20H22O8,3,28,8,0.3,GCAA,,,,,,,,,OC[C@H]1O[C@@H](Oc2cc(O)cc(/C=C/c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O
688,ZINC000003842753,2005-10-02,In-Stock,2015-08-07,296.201,-0.804,C10H11F3N2O5,2,20,10,0.6,CBAA,Reference,0.0,3.0,6.0,104.0,2.0,-3.42,-16.45,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C(F)(F)F
689,ZINC000030691754,2009-04-01,In-Stock,2015-08-07,451.914,4.135,C23H22ClN5O3,3,32,9,0.13,JIAA,Reference,1.0,3.0,4.0,109.0,6.0,8.64,-39.27,COc1ccc(NC(=O)c2ccc(C(=N)N(C)C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
690,ZINC000000013156,2005-09-26,In-Stock,2015-08-07,256.096,2.01,C9H7Cl2N5,2,16,7,0.0,CEAA,Reference,0.0,2.0,5.0,90.0,1.0,4.34,-11.22,Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1
691,ZINC000040899447,2010-04-13,In-Stock,2015-08-07,421.305,4.711,C19H14Cl2N2O3S,3,27,8,0.05,HJAA,Reference,0.0,1.0,4.0,76.0,4.0,7.06,-20.51,CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1
692,ZINC000022016976,2008-12-11,In-Stock,2015-08-07,404.464,-2.157,C17H32N4O7,1,28,11,0.82,HAAB,Reference,-1.0,3.0,9.0,155.0,8.0,1.98,-92.63,C[C@@H](O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1
693,ZINC000002568036,2004-10-27,In-Stock,2015-08-07,314.257,1.74,C14H10N4O5,3,23,9,0.07,DDEA,Reference,0.0,1.0,6.0,118.0,4.0,4.42,-23.55,O=C1CN(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1
694,ZINC000043450326,2010-05-14,In-Stock,2015-08-07,545.629,2.581,C29H39NO9,5,39,10,0.66,KFAB,Reference,1.0,3.0,9.0,125.0,9.0,7.91,-49.37,COC(=O)C[C@@](O)(CCCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@@H]13)OCO4
695,ZINC000000527386,2005-09-26,In-Stock,2015-08-07,329.371,3.327,C19H20FNO3,4,24,5,0.37,EGAA,Reference,1.0,1.0,3.0,44.0,4.0,7.72,-52.92,Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1
696,ZINC000001530811,2004-10-06,In-Stock,2015-08-07,264.369,2.617,C15H24N2O2,1,19,4,0.53,CFAA,Reference,1.0,2.0,3.0,42.0,8.0,8.62,-37.68,CCCCNc1ccc(C(=O)OCCN(C)C)cc1
697,ZINC000000643138,2004-07-25,In-Stock,2015-08-07,531.44,4.206,C26H28Cl2N4O4,5,36,10,0.38,KICA,Reference,0.0,0.0,7.0,69.0,7.0,12.06,-16.43,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
698,ZINC000052716421,2010-11-13,In-Stock,2015-08-07,390.409,3.171,C20H21F3N4O,4,28,8,0.35,GGAA,Reference,0.0,1.0,4.0,44.0,4.0,6.95,-11.18,O=c1[nH]c2ccccc2n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1
699,ZINC000000896755,2005-09-27,In-Stock,2015-08-07,365.842,2.714,C16H16ClN3O3S,3,24,8,0.19,FFAA,Reference,0.0,2.0,4.0,92.0,2.0,3.62,-16.99,Cc1ccccc1N1C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2N[C@@H]1C
700,ZINC000001698306,2004-10-08,In-Stock,2015-08-07,182.175,0.541,C9H10O4,1,13,4,0.22,ACAA,Reference,0.0,2.0,4.0,66.0,3.0,0.94,-10.71,O=C(OCCO)c1ccccc1O
701,ZINC000003871967,2005-10-04,In-Stock,2015-08-07,410.433,-0.048,C15H14N4O6S2,3,27,12,0.27,HBAA,Reference,-2.0,2.0,10.0,168.0,6.0,4.72,-115.46,Nc1nc(/C(=C/CC(=O)O)C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=CCS[C@H]23)cs1
702,ZINC000001530283,2004-10-06,In-Stock,2015-08-07,190.155,-1.027,C6H10N2O5,0,13,7,0.5,AAAA,Reference,-2.0,2.0,5.0,135.0,5.0,0.29,-108.14,NC(=O)N[C@@H](CCC(=O)O)C(=O)O
703,ZINC000008214614,2006-07-04,In-Stock,2015-08-07,408.584,6.308,C21H47NO4P+,0,27,6,1.0,HKEA,Reference,0.0,0.0,4.0,58.0,20.0,16.89,-47.75,CCCCCCCCCCCCCCCCO[P@@](=O)(O)OCC[N+](C)(C)C
704,ZINC000000020231,2004-07-23,In-Stock,2015-08-07,245.113,1.756,C9H10Cl2N4,2,15,6,0.22,BDEA,Reference,1.0,4.0,3.0,64.0,1.0,3.72,-24.61,Nc1cc(Cl)c(N=C2NCCN2)c(Cl)c1
705,ZINC000022010375,2008-12-11,In-Stock,2015-08-07,191.274,2.078,C12H17NO,2,14,2,0.5,AEAA,Reference,0.0,0.0,2.0,12.0,1.0,4.13,-3.46,C[C@@H]1[C@@H](c2ccccc2)OCCN1C
706,ZINC000013537284,2008-06-21,In-Stock,2015-08-07,294.358,2.408,C17H18N4O,4,22,5,0.29,CEAA,Reference,0.0,1.0,3.0,53.0,2.0,8.51,-18.56,Cc1nc[nH]c1CN1CCc2c(c3ccccc3n2C)C1=O
707,ZINC000003809490,2005-09-27,In-Stock,2015-08-07,125.149,-1.167,C2H7NO3S,0,7,5,1.0,AAAA,Reference,0.0,1.0,3.0,84.0,2.0,-4.36,-57.52,NCCS(=O)(=O)O
708,ZINC000019796087,2008-11-10,In-Stock,2015-08-07,479.533,3.678,C26H29N3O6,3,35,9,0.31,JHBA,Reference,1.0,2.0,7.0,112.0,9.0,15.33,-42.94,COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1
709,ZINC000022059930,2008-12-12,In-Stock,2015-08-07,389.387,0.966,C18H20FN5O4,4,28,10,0.44,GCEA,Reference,0.0,1.0,8.0,127.0,5.0,6.99,-101.92,CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@H]1CN
710,ZINC000013831130,2008-06-26,In-Stock,2015-08-07,444.423,1.486,C20H21FN6O5,3,32,12,0.3,IDEA,Reference,-1.0,2.0,10.0,158.0,6.0,-1.57,-52.31,Cc1nnc(C(=O)NC(C)(C)c2nc(/C(O)=N/Cc3ccc(F)cc3)c(O)c(=O)n2C)o1
711,ZINC000064033452,2011-06-10,In-Stock,2015-08-08,452.413,4.747,C24H18F2N2O5,5,33,9,0.21,JJAA,Reference,-1.0,1.0,6.0,100.0,5.0,11.01,-65.06,Cc1ccc(NC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(C(=O)O)c1
712,ZINC000003977952,2005-10-28,In-Stock,2015-08-07,342.297,-5.396,C12H22O11,2,23,11,1.0,EAAA,,,,,,,,,OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
713,ZINC000003782818,2005-09-26,In-Stock,2015-08-07,440.463,4.029,C24H20N6O3,5,33,9,0.12,IIAA,Reference,-2.0,0.0,8.0,119.0,7.0,10.34,-126.75,CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1
714,ZINC000070466416,2011-11-17,In-Stock,2015-08-08,501.514,5.541,C28H24FN3O5,5,37,9,0.18,KKAA,Reference,0.0,2.0,6.0,98.0,8.0,10.04,-16.27,COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC
715,ZINC000100018594,2015-08-08,In-Stock,2015-08-08,392.519,3.77,C25H30NO3+,5,29,4,0.48,GHBA,,,,,,,,,O=C(OC1C[C@@H]2CC[C@@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1
716,ZINC000410428674,2016-09-02,Annotated,2019-05-25,327.468,4.144,C21H29NO2,4,24,3,0.76,EIEF,Reference,0.0,2.0,3.0,52.0,1.0,6.61,-8.03,C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=NO)CC[C@@H]4[C@H]3CC[C@@]21CC
717,ZINC000008035268,2006-06-28,In-Stock,2015-08-07,511.819,8.05,C32H55N4O+,2,37,5,0.69,KKEA,Reference,1.0,0.0,4.0,38.0,22.0,23.86,-38.88,CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1
718,ZINC000003776875,2005-09-26,In-Stock,2015-08-07,168.036,2.083,C3H2F6O,0,10,7,1.0,AEAA,Reference,0.0,0.0,1.0,9.0,2.0,2.09,-4.65,FC(F)O[C@@H](F)C(F)(F)F
719,ZINC000000004778,2005-09-26,In-Stock,2015-08-07,266.304,2.651,C15H14N4O,4,20,5,0.27,CFAA,Reference,0.0,1.0,4.0,58.0,1.0,6.67,-11.99,Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1
720,ZINC000022059926,2008-12-12,In-Stock,2015-08-07,389.387,0.966,C18H20FN5O4,4,28,10,0.44,GCEA,Reference,0.0,1.0,8.0,127.0,5.0,8.21,-104.39,CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1CN
721,ZINC000003831050,2005-09-30,In-Stock,2015-08-07,160.237,0.644,C8H18NO2+,0,11,3,0.88,ACBA,Reference,1.0,0.0,2.0,26.0,3.0,7.01,-33.64,CC(=O)O[C@@H](C)C[N+](C)(C)C
722,ZINC000000000941,2005-09-26,In-Stock,2015-08-07,293.374,2.929,C17H19N5,2,22,5,0.41,CFEA,Reference,0.0,0.0,5.0,78.0,4.0,11.46,-21.08,CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1
723,ZINC000003781664,2005-09-26,In-Stock,2015-08-07,211.334,1.582,C10H17N3S,2,14,4,0.7,BDAA,Reference,1.0,2.0,3.0,55.0,3.0,3.68,-43.43,CCCN[C@H]1CCc2nc(N)sc2C1
724,ZINC000035024346,2009-10-02,In-Stock,2015-08-07,244.316,1.001,C10H16N2O3S,2,16,6,0.8,BDAA,Reference,-1.0,2.0,4.0,81.0,5.0,3.44,-56.69,O=C(O)CCCC[C@@H]1SC[C@@H]2N=C(O)N[C@H]12
725,ZINC000014881137,2008-07-16,In-Stock,2015-08-07,326.633,7.344,C22H48N+,0,23,1,1.0,EKEA,Reference,1.0,0.0,0.0,0.0,18.0,18.16,-30.09,CCCCCCCCCC[N+](C)(C)CCCCCCCCCC
726,ZINC000100009278,2015-08-08,In-Stock,2015-08-08,289.375,1.931,C17H23NO3,3,21,4,0.59,CDAA,Reference,1.0,2.0,3.0,50.0,4.0,6.8,-40.52,CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@@H](CO)c1ccccc1)C2
727,ZINC000003792789,2005-12-03,In-Stock,2015-08-07,300.442,5.603,C20H28O2,1,22,2,0.45,DKAA,Reference,-1.0,0.0,2.0,40.0,5.0,11.52,-59.22,CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O)C(C)(C)CCC1
728,ZINC000003927198,2005-10-20,In-Stock,2015-08-07,395.422,-0.172,C14H13N5O5S2,3,26,12,0.21,GBEA,Reference,-1.0,2.0,9.0,165.0,5.0,2.38,-95.72,C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\O)c3csc(N)n3)[C@H]2SC1
729,ZINC000008035395,2006-06-28,In-Stock,2015-08-07,807.114,-2.016,C18H24I3N3O9,1,33,15,0.5,KAAA,,,,,,,,,O=C(NC[C@@H](O)CO)c1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(N(CCO)C(=O)CO)c1I
730,ZINC000094566092,2013-07-18,In-Stock,2015-08-08,451.483,1.718,C23H25N5O5,5,33,10,0.35,JDAA,Reference,0.0,1.0,9.0,112.0,4.0,7.48,-19.5,COc1cc2nc(N3CCN(C(=O)[C@@H]4COc5ccccc5O4)CC3)nc(N)c2cc1OC
731,ZINC000000538065,2005-09-27,In-Stock,2015-08-07,470.017,3.552,C25H32ClN5O2,4,33,8,0.44,JHAA,Reference,0.0,0.0,7.0,55.0,10.0,11.36,-12.33,CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CCOc1ccccc1
732,ZINC000001843099,2004-10-09,In-Stock,2015-08-07,389.456,1.351,C19H27N5O4,3,28,9,0.53,GDAA,Reference,0.0,2.0,8.0,111.0,8.0,6.77,-19.81,COc1cc2nc(N(C)CCCNC(=O)[C@H]3CCCO3)nc(N)c2cc1OC
733,ZINC000000002028,2004-07-23,In-Stock,2015-08-07,110.112,1.098,C6H6O2,1,8,2,0.0,ADAA,Reference,0.0,2.0,2.0,40.0,0.0,-1.22,-5.57,Oc1cccc(O)c1
734,ZINC000003872520,2005-11-14,In-Stock,2015-08-07,166.249,1.278,C8H10N2S,1,11,3,0.25,ADAA,Reference,0.0,1.0,2.0,38.0,2.0,3.39,-12.08,CCc1cc(C(N)=S)ccn1
735,ZINC000000000853,2005-09-27,In-Stock,2015-08-07,263.381,2.635,C16H25NO2,2,19,3,0.62,CFAA,Reference,1.0,2.0,2.0,33.0,4.0,6.41,-36.61,COc1cccc([C@@]2(O)CCCC[C@@H]2CN(C)C)c1
736,ZINC000004658290,2005-12-22,In-Stock,2015-08-07,152.182,1.015,C5H4N4S,2,10,5,0.0,ADAA,Reference,0.0,2.0,3.0,57.0,0.0,4.06,-18.8,S=c1[nH]cnc2nc[nH]c12
737,ZINC000001530935,2005-10-04,In-Stock,2015-08-07,359.451,2.989,C18H21N3O3S,3,25,7,0.33,FFAA,Reference,0.0,1.0,5.0,77.0,8.0,4.42,-16.05,COCCCOc1ccnc(C[S@](=O)c2nc3ccccc3[nH]2)c1C
738,ZINC000027428713,2009-02-15,In-Stock,2015-08-07,534.432,4.952,C23H21F7N4O3,4,37,14,0.39,KJEA,Reference,-1.0,1.0,5.0,81.0,6.0,7.77,-39.81,C[C@@H](O[C@H]1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
739,ZINC000238809662,2016-02-02,In-Stock,2016-02-16,929.161,8.066,C53H72N2O12+2,6,67,14,0.51,KKBA,,,,,,,,,COc1ccc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@@+]2(C)CCC(=O)OCCCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC
740,ZINC000019632670,2008-11-05,In-Stock,2015-08-07,378.516,3.173,C24H30N2O2,4,28,4,0.46,GGAA,Reference,0.0,0.0,3.0,32.0,6.0,8.94,-11.46,CCN1C[C@H](CCN2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O
741,ZINC000000001673,2004-10-11,In-Stock,2015-08-07,305.205,1.925,C13H18Cl2N2O2,1,19,6,0.46,DDGA,Reference,0.0,1.0,3.0,71.0,8.0,7.52,-36.75,N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O
742,ZINC000254134439,2016-02-14,In-Stock,2016-02-27,540.708,1.43,C24H36N4O6S2,2,36,12,0.62,KDGA,,,,,,,,,C/C=C1\NC(=O)[C@H]2CSSCCC=C[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@H](C(C)C)NC1=O
743,ZINC000014210876,2008-07-05,In-Stock,2016-02-26,569.662,4.159,C32H35N5O5,4,42,10,0.25,KIAA,Reference,0.0,3.0,6.0,169.0,11.0,10.49,-100.44,COc1ccc(CN(C(=O)[C@@H](N)Cc2c(C)cc(C(N)=O)cc2C)[C@@H](C)c2nc(-c3ccccc3)c[nH]2)cc1C(=O)O
744,ZINC000006716957,2006-04-17,In-Stock,2015-08-07,529.526,6.356,C28H22F3N7O,5,39,11,0.11,KKAA,Reference,0.0,2.0,7.0,97.0,6.0,15.85,-18.08,Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1
745,ZINC000006094354,2006-03-05,In-Stock,2015-08-07,296.414,2.657,C19H24N2O,6,22,3,0.63,CFAA,Reference,1.0,1.0,1.0,24.0,1.0,9.4,-36.03,O=C1c2cccc3c2[C@@H](CCC3)CN1[C@@H]1CN2CCC1CC2
746,ZINC000000538550,2005-09-26,In-Stock,2015-08-07,412.946,3.809,C21H21ClN4OS,5,28,7,0.33,HHAA,Reference,0.0,1.0,5.0,48.0,4.0,7.43,-12.23,O=C1Cc2cc(CCN3CCN(c4nsc5ccccc45)CC3)c(Cl)cc2N1
747,ZINC000000001331,2005-10-04,In-Stock,2015-08-07,279.383,3.962,C19H21NO,3,21,2,0.26,CHAA,Reference,1.0,1.0,1.0,13.0,3.0,11.09,-37.61,CN(C)CC/C=C1\c2ccccc2COc2ccccc21
748,ZINC000003831477,2005-09-30,In-Stock,2015-08-07,182.222,-0.248,C4H6O4S2,0,10,6,0.5,ABEB,Reference,-2.0,2.0,6.0,80.0,3.0,3.8,-94.89,O=C(O)[C@H](S)[C@@H](S)C(=O)O
749,ZINC000002525885,2004-10-27,In-Stock,2015-08-07,263.381,2.733,C16H25NO2,2,19,3,0.62,CFAA,Reference,1.0,3.0,2.0,44.0,4.0,5.27,-36.12,CN(C)C[C@@H](c1ccc(O)cc1)C1(O)CCCCC1
750,ZINC000000004076,2005-09-26,In-Stock,2015-08-07,335.473,2.069,C17H25N3O2S,3,23,6,0.53,EEAA,Reference,1.0,3.0,2.0,66.0,5.0,5.94,-47.41,CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1
751,ZINC000038945666,2010-02-01,In-Stock,2017-05-26,530.661,6.053,C33H38O6,3,39,6,0.36,KKAA,Reference,0.0,0.0,6.0,78.0,17.0,22.19,-16.19,O=C(CCCc1ccccc1)OCC(COC(=O)CCCc1ccccc1)OC(=O)CCCc1ccccc1
752,ZINC000252678020,2016-02-05,In-Stock,2016-02-26,318.339,3.202,C15H21F3N2O2,1,22,7,0.53,DGEB,Reference,1.0,1.0,3.0,58.0,9.0,6.01,-44.2,COCCCCC(=NOCCN)c1ccc(C(F)(F)F)cc1
753,ZINC000100008275,2015-08-08,In-Stock,2015-08-08,261.089,1.884,C7H15Cl2N2O2P,1,14,7,1.0,CDGA,,,,,,,,,O=[P@@]1(N(CCCl)CCCl)NCCCO1
754,ZINC000012503068,2008-05-16,In-Stock,2015-08-07,392.519,3.77,C25H30NO3+,5,29,4,0.48,GHBA,Reference,1.0,1.0,3.0,46.0,4.0,13.41,-31.96,O=C(OC1C[C@@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1
755,ZINC000000389747,2005-10-31,In-Stock,2015-08-07,327.38,1.301,C19H21NO4,5,24,5,0.53,EDEA,Reference,1.0,3.0,4.0,71.0,2.0,3.79,-57.18,C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5
756,ZINC000072318121,2012-05-17,In-Stock,2015-08-08,506.605,4.937,C27H32F2N8,5,37,10,0.41,KJAA,Reference,1.0,2.0,7.0,76.0,7.0,14.82,-47.09,CCN1CCN(Cc2ccc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)nc2)CC1
757,ZINC000000020250,2005-09-27,In-Stock,2015-08-07,284.428,4.239,C17H20N2S,3,20,3,0.29,CIAA,Reference,1.0,1.0,2.0,7.0,3.0,10.9,-39.45,C[C@@H](CN1c2ccccc2Sc2ccccc21)N(C)C
758,ZINC000019166991,2008-10-27,In-Stock,2015-08-07,136.198,0.692,C8H12N2,1,10,2,0.25,ACAA,Reference,0.0,2.0,2.0,38.0,3.0,2.79,-3.22,NNCCc1ccccc1
759,ZINC000169621228,2015-08-08,In-Stock,2016-02-28,877.045,5.648,C47H64N4O12,7,63,16,0.57,KKEA,,,,,,,,,CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C6CCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C
760,ZINC000003812897,2005-09-27,In-Stock,2015-08-07,296.41,3.613,C20H24O2,4,22,2,0.6,CHEA,Reference,0.0,2.0,2.0,40.0,0.0,5.84,-6.04,C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C
761,ZINC000001530718,2004-10-06,In-Stock,2015-08-07,267.369,1.613,C15H25NO3,1,19,4,0.6,CDAA,Reference,1.0,2.0,3.0,55.0,9.0,3.63,-41.8,COCCc1ccc(OC[C@H](O)CNC(C)C)cc1
762,ZINC000100299039,2015-08-08,In-Stock,2015-08-08,206.314,2.495,C11H14N2S,2,14,3,0.36,BEAB,Reference,1.0,1.0,2.0,17.0,2.0,7.07,-23.45,CN1CCCN=C1/C=C\c1cccs1
763,ZINC000001883067,2004-10-09,In-Stock,2015-08-07,229.104,1.117,C6H3N3O7,1,16,10,0.0,BDBA,Reference,-1.0,0.0,7.0,152.0,3.0,6.13,-30.76,O=[N+]([O-])c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1
764,ZINC000001530974,2005-09-27,In-Stock,2015-08-07,411.785,6.637,C19H17Cl3N2S,3,25,6,0.21,HKAA,Reference,0.0,0.0,3.0,17.0,7.0,15.5,-7.53,Clc1ccc(CC[C@H](Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1
765,ZINC000000896958,2004-07-28,In-Stock,2015-08-07,318.437,2.456,C19H28NO3+,3,23,4,0.63,DEBA,Reference,1.0,1.0,3.0,46.0,4.0,10.74,-35.01,C[N+]1(C)CC[C@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1
766,ZINC000000113428,2005-10-05,In-Stock,2015-08-07,200.285,2.108,C13H16N2,3,15,2,0.46,BEAA,Reference,1.0,2.0,1.0,26.0,1.0,6.09,-29.28,c1ccc2c(c1)CCC[C@@H]2C1=NCCN1
767,ZINC000001530427,2004-10-06,In-Stock,2015-08-07,138.059,-0.091,C3H7O4P,1,8,5,1.0,ABEA,Reference,-1.0,1.0,3.0,72.0,1.0,-2.21,-39.01,C[C@@H]1O[C@@H]1P(=O)(O)O
768,ZINC000000001798,2005-10-04,In-Stock,2015-08-07,162.236,1.848,C10H14N2,2,12,2,0.5,ADAA,Reference,1.0,1.0,1.0,17.0,1.0,5.12,-35.4,CN1CCC[C@@H]1c1cccnc1
769,ZINC000019364224,2008-10-31,In-Stock,2015-08-07,374.912,3.056,C21H27ClN2O2,3,26,5,0.43,FGAA,Reference,0.0,1.0,4.0,35.0,8.0,5.71,-5.33,OCCOCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1
770,ZINC000001690604,2004-10-07,In-Stock,2015-08-07,151.209,1.282,C9H13NO,1,11,2,0.33,ADAA,Reference,1.0,2.0,1.0,47.0,2.0,1.16,-43.35,C[C@H](N)Cc1ccc(O)cc1
771,ZINC000003645145,2004-11-09,In-Stock,2015-08-07,131.175,0.444,C6H13NO2,0,9,3,0.83,ACAA,Reference,0.0,1.0,2.0,67.0,3.0,2.29,-37.62,CC(C)C[C@H](N)C(=O)O
772,ZINC000012358719,2008-05-09,In-Stock,2015-08-07,165.192,1.446,C9H11NO2,1,12,3,0.22,ADAA,Reference,0.0,1.0,3.0,52.0,2.0,3.93,-7.05,CCOC(=O)c1ccc(N)cc1
773,ZINC000000155531,2004-07-23,In-Stock,2015-08-07,291.391,2.18,C17H25NO3,2,21,4,0.59,CEAA,Reference,1.0,2.0,3.0,50.0,6.0,8.35,-41.03,CN(C)CCOC(=O)[C@@H](c1ccccc1)C1(O)CCCC1
774,ZINC000000002272,2005-10-04,In-Stock,2015-08-07,254.285,3.106,C16H14O3,2,19,3,0.12,CGAA,Reference,-1.0,0.0,3.0,57.0,4.0,9.64,-45.73,C[C@@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1
775,ZINC000017285869,2008-09-18,In-Stock,2015-08-07,290.403,4.468,C18H26O3,1,21,3,0.5,CIAA,Reference,0.0,0.0,3.0,35.0,9.0,10.89,-7.38,CCCC[C@@H](CC)COC(=O)/C=C\c1ccc(OC)cc1
776,ZINC000169748244,2015-08-08,In-Stock,2015-08-08,251.05,1.568,C14H10BNO3,3,19,5,0.07,CDEA,,,,,,,,,N#Cc1ccc(Oc2ccc3c(c2)COB3O)cc1
777,ZINC000000001370,2005-09-27,In-Stock,2015-08-07,294.745,3.272,C16H11ClN4,4,21,5,0.06,CGAA,Reference,0.0,0.0,4.0,43.0,1.0,9.29,-11.22,Clc1ccc2c(c1)C(c1ccccc1)=NCc1nncn1-2
778,ZINC000000014037,2005-11-15,In-Stock,2015-08-07,246.354,1.771,C15H22N2O,2,18,3,0.53,BDAA,Reference,1.0,1.0,1.0,47.0,5.0,5.76,-53.39,CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1CN
779,ZINC000049841054,2010-10-10,In-Stock,2015-08-07,719.924,2.584,C40H57N5O7,4,52,12,0.57,KFAA,Reference,0.0,4.0,8.0,158.0,20.0,9.23,-13.28,CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1
780,ZINC000000901791,2005-10-03,In-Stock,2015-08-07,131.131,-1.206,C5H9NO3,1,9,4,0.8,AAAA,Reference,0.0,2.0,3.0,76.0,1.0,-0.89,-37.79,O=C(O)[C@@H]1C[C@@H](O)CN1
781,ZINC000001530759,2004-10-06,In-Stock,2015-08-07,341.451,3.241,C21H27NO3,2,25,4,0.38,EGAA,Reference,1.0,2.0,3.0,63.0,11.0,9.64,-46.07,CCCNC[C@H](O)COc1ccccc1C(=O)CCc1ccccc1
782,ZINC000253476025,2016-02-05,In-Stock,2016-02-27,332.464,2.854,C20H30NO3+,3,24,4,0.65,EFBA,Reference,1.0,1.0,3.0,46.0,5.0,10.13,-31.22,CC(C)[N@+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](CO)c1ccccc1)C2
783,ZINC000005764759,2006-02-12,For-Sale,2015-08-07,356.442,1.67,C21H26NO4+,6,26,5,0.67,FDBE,Reference,1.0,2.0,4.0,66.0,2.0,6.58,-54.7,C[N+]1(CC2CC2)CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5
784,ZINC000003881640,2005-10-05,In-Stock,2015-08-07,370.489,4.185,C23H30O4,4,27,4,0.7,FIEA,Reference,0.0,0.0,4.0,60.0,2.0,11.2,-15.4,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
785,ZINC000004214955,2005-11-15,In-Stock,2015-08-07,358.269,3.265,C16H21Cl2N3O2,2,23,7,0.5,FGGA,,,,,,,,,Cn1c(CCCC(=O)O)nc2cc(N(CCCl)CCCl)ccc21
786,ZINC000006021033,2006-03-01,In-Stock,2015-08-07,135.21,1.576,C9H13N,1,10,1,0.33,ADAA,Reference,1.0,1.0,0.0,27.0,2.0,4.01,-39.34,C[C@H](N)Cc1ccccc1
787,ZINC000005456939,2006-02-02,In-Stock,2015-08-07,300.442,5.603,C20H28O2,1,22,2,0.45,DKAA,Reference,-1.0,0.0,2.0,40.0,5.0,11.48,-52.81,CC1=C(/C=C/C(C)=C/C=C\C(C)=C/C(=O)O)C(C)(C)CCC1
788,ZINC000002510358,2004-10-27,In-Stock,2015-08-07,252.273,1.77,C15H12N2O2,3,19,4,0.07,CDAA,Reference,0.0,2.0,2.0,58.0,2.0,4.58,-7.62,O=C1NC(=O)C(c2ccccc2)(c2ccccc2)N1
789,ZINC000000113404,2005-09-30,In-Stock,2015-08-07,274.795,3.819,C16H19ClN2,2,19,3,0.31,CHAA,Reference,1.0,1.0,1.0,17.0,5.0,9.73,-41.27,CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1
790,ZINC000100017856,2015-08-08,In-Stock,2015-08-08,366.844,5.505,C22H19ClO3,4,26,4,0.27,FKEB,Reference,-1.0,0.0,3.0,57.0,2.0,11.85,-46.25,O=C1C(O)=C([C@@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21
791,ZINC000008034121,2006-06-28,In-Stock,2015-08-07,77.152,-0.125,C2H7NS,0,4,2,1.0,ABEA,Reference,1.0,2.0,1.0,27.0,1.0,-0.29,-43.46,NCCS
792,ZINC000001530688,2004-10-06,In-Stock,2015-08-07,277.411,4.211,C20H23N,5,21,1,0.4,CIAA,Reference,1.0,1.0,0.0,16.0,4.0,10.81,-44.93,CNCCCC12CCC(c3ccccc31)c1ccccc12
793,ZINC000000034157,2005-10-04,In-Stock,2015-08-07,183.207,0.478,C9H13NO3,1,13,4,0.33,ACCA,Reference,1.0,4.0,3.0,88.0,2.0,-4.03,-45.67,C[C@H](N)[C@H](O)c1ccc(O)c(O)c1
794,ZINC000003872994,2005-10-04,In-Stock,2015-08-07,531.44,4.206,C26H28Cl2N4O4,5,36,10,0.38,KICA,Reference,0.0,0.0,7.0,69.0,7.0,12.53,-16.76,CC(=O)N1CCN(c2ccc(OC[C@H]3CO[C@@](Cn4ccnc4)(c4ccc(Cl)cc4Cl)O3)cc2)CC1
795,ZINC000060392785,2011-03-22,For-Sale,2017-05-08,737.696,1.747,C33H44N3O14P,3,51,18,0.48,KDAE,,,,,,,,,O=C(O)CN(CCN(CC(=O)O)C[C@@H](CO[P@](=O)(O)OC1CCC(c2ccccc2)(c2ccccc2)CC1)N(CC(=O)O)CC(=O)O)CC(=O)O
796,ZINC000009302239,2007-08-17,In-Stock,2016-02-25,265.247,-1.525,C7H11N3O6S,2,17,10,0.71,CAEA,Reference,-1.0,1.0,6.0,133.0,3.0,-3.42,-57.91,NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O
797,ZINC000001550477,2004-10-06,In-Stock,2015-08-07,581.069,6.139,C29H26ClFN4O4S,5,40,11,0.17,KKAA,Low pH (6.4),1.0,2.0,7.0,110.0,11.0,12.78,-67.94,CS(=O)(=O)CCNCc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1
798,ZINC000100052267,2015-08-08,In-Stock,2015-08-08,290.383,2.033,C17H24NO3+,3,21,4,0.59,CEBB,,,,,,,,,C[N+]1(C)[C@H]2CC[C@H]1CC(OC(=O)[C@@H](O)c1ccccc1)C2
799,ZINC000001530775,2004-10-06,In-Stock,2015-08-07,340.427,2.883,C19H24N4O2,2,25,6,0.26,EFAA,Reference,2.0,4.0,2.0,121.0,10.0,5.21,-73.85,N=C(N)c1ccc(OCCCCCOc2ccc(C(=N)N)cc2)cc1
800,ZINC000022010379,2008-12-11,In-Stock,2015-08-07,191.274,2.078,C12H17NO,2,14,2,0.5,AEAB,Reference,0.0,0.0,2.0,12.0,1.0,3.93,-2.87,C[C@H]1[C@@H](c2ccccc2)OCCN1C
801,ZINC000000591993,2004-07-24,In-Stock,2015-08-07,388.42,3.202,C20H24N2O6,2,28,8,0.4,GGBA,Reference,0.0,1.0,7.0,107.0,6.0,11.78,-20.6,COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)[C@H]1c1ccccc1[N+](=O)[O-]
802,ZINC000004658603,2005-12-22,In-Stock,2015-08-07,75.067,-0.488,C2H5NO2,0,5,3,0.5,ABEA,Reference,0.0,2.0,2.0,49.0,0.0,-1.54,-13.02,CC(=O)NO
803,ZINC000000896523,2005-09-30,In-Stock,2015-08-07,295.379,1.53,C16H25NO4,1,21,5,0.56,CDAA,Reference,1.0,2.0,4.0,72.0,9.0,5.38,-44.5,COC(=O)CCc1ccc(OC[C@@H](O)CNC(C)C)cc1
804,ZINC000014879972,2008-07-16,In-Stock,2015-08-07,585.658,0.513,C29H39N5O8,4,42,13,0.52,KCEA,Reference,0.0,6.0,9.0,217.0,6.0,3.64,-106.43,CN(C)c1cc(NC(=O)CNC(C)(C)C)c(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O
805,ZINC000012503156,2008-05-16,In-Stock,2015-08-07,136.154,1.609,C7H8N2O,1,10,3,0.14,ADAA,Reference,0.0,0.0,3.0,32.0,1.0,3.84,-33.34,CN1C=CC=C/C1=C\N=O
806,ZINC000001554588,2004-10-06,In-Stock,2015-08-07,181.213,-0.6,C5H11NO4S,0,11,6,0.8,ABAA,Reference,-1.0,1.0,4.0,86.0,4.0,-2.59,-44.54,CC(=O)NCCCS(=O)(=O)O
807,ZINC000100018598,2015-08-08,In-Stock,2015-08-08,392.519,3.77,C25H30NO3+,5,29,4,0.48,GHBA,,,,,,,,,O=C(OC1C[C@H]2CC[C@H](C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1
808,ZINC000000057253,2005-09-30,In-Stock,2015-08-07,289.806,3.528,C17H20ClNO,2,20,3,0.29,CHAA,Reference,1.0,2.0,1.0,24.0,5.0,8.16,-35.78,CN(C)CC[C@@](O)(c1ccccc1)c1ccccc1Cl
809,ZINC000004212854,2005-11-15,In-Stock,2015-08-07,376.468,2.781,C22H29FO4,4,27,5,0.73,GFEA,Reference,0.0,2.0,4.0,74.0,2.0,6.71,-17.79,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO
810,ZINC000003964325,2005-10-25,In-Stock,2015-08-07,398.482,3.335,C22H27FN4O2,3,29,7,0.36,GGAA,Reference,1.0,4.0,2.0,78.0,7.0,8.36,-45.78,CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C
811,ZINC000000000449,2004-07-23,In-Stock,2015-08-07,340.443,2.705,C21H26NO3+,3,25,4,0.38,EFBA,Reference,1.0,1.0,3.0,46.0,4.0,11.71,-36.4,C[N+]1(C)CCC[C@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1
812,ZINC000001187543,2004-08-09,In-Stock,2015-08-07,114.173,1.083,C4H6N2S,1,7,3,0.25,ADAA,Reference,0.0,1.0,2.0,20.0,0.0,3.82,-17.61,Cn1cc[nH]c1=S
813,ZINC000035999642,2009-10-16,In-Stock,2015-08-07,237.73,2.898,C13H16ClNO,2,16,3,0.46,BFAA,Reference,0.0,1.0,2.0,29.0,2.0,5.48,-6.63,CN[C@]1(c2ccccc2Cl)CCCCC1=O
814,ZINC000006661227,2006-04-12,In-Stock,2015-08-07,155.157,-0.636,C6H9N3O2,1,11,5,0.33,ABAA,Reference,0.0,2.0,3.0,96.0,3.0,1.5,-37.73,N[C@@H](Cc1c[nH]cn1)C(=O)O
815,ZINC000002000707,2004-10-10,In-Stock,2015-08-07,311.637,0.258,C11H6ClN3O6,1,21,10,0.0,DCEA,Reference,-2.0,2.0,7.0,162.0,2.0,4.67,-81.71,N#Cc1cc(NC(=O)C(=O)O)c(Cl)c(NC(=O)C(=O)O)c1
816,ZINC000000607790,2004-07-24,In-Stock,2015-08-07,399.443,2.872,C22H25NO6,3,29,7,0.36,GFAA,Reference,0.0,1.0,6.0,83.0,5.0,8.0,-20.78,COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@H](NC(C)=O)CC2
817,ZINC000000105196,2005-09-30,In-Stock,2015-08-07,165.192,0.641,C9H11NO2,1,12,3,0.22,ACAA,Reference,0.0,1.0,2.0,67.0,3.0,4.04,-34.49,N[C@@H](Cc1ccccc1)C(=O)O
818,ZINC000000001464,2005-09-27,In-Stock,2015-08-07,303.293,1.774,C15H14FN3O3,3,22,7,0.27,DDAA,Reference,0.0,0.0,5.0,64.0,2.0,8.08,-13.24,CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(F)ccc1-2
819,ZINC000003775644,2005-09-26,In-Stock,2015-08-07,209.252,2.552,C13H11N3,3,16,3,0.0,BFBA,Reference,1.0,2.0,2.0,66.0,0.0,3.23,-23.31,Nc1ccc2cc3ccc(N)cc3nc2c1
820,ZINC000012495062,2008-05-16,For-Sale,2018-05-19,352.471,3.409,C20H32O5,2,25,5,0.75,FGAE,Reference,-1.0,2.0,5.0,89.0,10.0,7.0,-49.97,CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2O/C(=C/CCCC(=O)O)C[C@@H]21
821,ZINC000004097476,2005-11-07,In-Stock,2015-08-07,613.915,3.115,C11H9I3N2O4,1,20,9,0.18,KGAA,Reference,-1.0,2.0,4.0,98.0,3.0,6.03,-53.56,CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I
822,ZINC000096006024,2014-03-19,Annotated,2015-08-08,729.996,6.151,C42H67NO9,6,52,10,0.86,KKEF,,,,,,,,,CC[C@H]1CCC[C@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4C[C@@H](O[C@@H]5C[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1
823,ZINC000003872605,2005-12-03,In-Stock,2015-08-07,318.339,3.202,C15H21F3N2O2,1,22,7,0.53,DGEA,Reference,1.0,1.0,3.0,58.0,9.0,5.88,-45.71,COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1
824,ZINC000001482164,2004-08-19,In-Stock,2015-08-07,156.269,2.44,C10H20O,1,11,1,1.0,AEAA,Reference,0.0,1.0,1.0,20.0,1.0,3.81,-2.0,CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O
825,ZINC000000402830,2005-09-30,In-Stock,2015-08-07,343.898,5.104,C21H26ClNO,3,24,3,0.43,EKAA,Reference,1.0,1.0,1.0,13.0,6.0,12.41,-35.47,CN1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1
826,ZINC000000057341,2004-07-23,In-Stock,2015-08-07,241.243,0.53,C11H15NO5,1,17,6,0.36,BCAA,Reference,0.0,2.0,5.0,91.0,6.0,-1.33,-13.02,COc1ccccc1OC[C@@H](O)COC(N)=O
827,ZINC000000601283,2005-09-26,In-Stock,2015-08-07,357.793,3.927,C19H16ClNO4,3,25,6,0.16,FHAA,Reference,-1.0,0.0,5.0,71.0,4.0,11.17,-50.78,COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1
828,ZINC000000000061,2005-09-27,In-Stock,2015-08-07,213.664,1.857,C10H12ClNO2,1,14,4,0.3,BDAA,Reference,0.0,1.0,2.0,67.0,4.0,4.81,-48.5,NC[C@H](CC(=O)O)c1ccc(Cl)cc1
829,ZINC000000000431,2004-07-23,In-Stock,2015-08-07,321.163,3.101,C15H10Cl2N2O2,3,21,6,0.07,DGAA,Reference,0.0,2.0,3.0,61.0,1.0,1.27,-9.19,O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=N[C@H]1O
830,ZINC000003813047,2005-09-27,In-Stock,2015-08-07,306.446,3.543,C19H30O3,4,22,3,0.95,DHAA,Reference,0.0,1.0,3.0,46.0,0.0,7.08,-7.39,C[C@]12COC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O
831,ZINC000000001735,2005-09-26,In-Stock,2015-08-07,209.253,-0.13,C9H15N5O,2,15,6,0.56,BBAA,Reference,0.0,2.0,5.0,95.0,1.0,4.91,-13.41,Nc1cc(N2CCCCC2)nc(N)[n+]1[O-]
832,ZINC000000897258,2005-09-30,In-Stock,2015-08-07,344.411,2.223,C19H24N2O4,2,25,6,0.32,EEAA,Reference,1.0,4.0,4.0,95.0,9.0,2.01,-44.72,COc1ccc(C[C@@H](C)NC[C@@H](O)c2ccc(O)c(NC=O)c2)cc1
833,ZINC000000014864,2005-09-26,In-Stock,2015-08-07,349.316,2.177,C16H14F3N5O,3,25,9,0.25,EEAA,Reference,0.0,1.0,6.0,76.0,5.0,8.74,-8.53,C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
834,ZINC000030691736,2009-04-01,In-Stock,2015-08-07,460.508,2.434,C22H24N2O7S,3,32,10,0.32,JEAA,Reference,0.0,1.0,7.0,119.0,8.0,5.74,-23.06,CCOc1cc([C@@H](CS(C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC
835,ZINC000004641374,2005-12-16,In-Stock,2015-08-07,412.658,6.612,C28H44O2,3,30,2,0.71,HKEA,Reference,0.0,2.0,2.0,40.0,5.0,10.74,-3.77,C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@@H](O)C[C@@H]1O
836,ZINC000003872738,2005-10-04,In-Stock,2015-08-07,246.097,1.336,C9H9Cl2N3O,1,15,6,0.11,BDEA,Reference,0.0,3.0,1.0,86.0,2.0,4.01,-20.75,NC(N)=NC(=O)Cc1c(Cl)cccc1Cl
837,ZINC000003830635,2005-09-30,In-Stock,2015-08-07,560.693,0.922,C25H48N6O8,0,39,14,0.8,KCEA,Reference,1.0,6.0,8.0,207.0,23.0,-0.21,-67.37,CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN
838,ZINC000003831474,2005-09-30,In-Stock,2015-08-07,182.222,-0.248,C4H6O4S2,0,10,6,0.5,ABEB,Reference,-2.0,2.0,6.0,80.0,3.0,3.78,-94.77,O=C(O)[C@@H](S)[C@H](S)C(=O)O
839,ZINC000003831531,2005-09-30,In-Stock,2015-08-07,375.559,5.045,C20H25NO2S2,3,25,5,0.45,GKAA,Reference,0.0,1.0,4.0,44.0,6.0,13.02,-49.56,Cc1ccsc1C(=CCCN1CCC[C@@H](C(=O)O)C1)c1sccc1C
840,ZINC000100037020,2015-08-08,In-Stock,2015-08-08,303.358,0.918,C17H21NO4,4,22,5,0.59,DCAA,Reference,0.0,1.0,5.0,62.0,4.0,3.61,-8.09,CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21
841,ZINC000019144226,2008-10-24,In-Stock,2015-08-07,319.88,4.811,C18H26ClN3,2,22,4,0.5,DJAA,Reference,1.0,2.0,2.0,29.0,8.0,10.13,-41.97,CCN(CC)CCC[C@@H](C)Nc1ccnc2cc(Cl)ccc12
842,ZINC000003813010,2005-09-27,In-Stock,2015-08-07,246.194,-1.684,C9H11FN2O5,2,17,8,0.56,BAAA,Reference,0.0,3.0,6.0,104.0,2.0,-5.36,-14.72,O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F
843,ZINC000085537026,2013-02-19,In-Stock,2015-08-08,748.996,1.901,C38H72N2O12,3,52,14,0.97,KDAA,,,,,,,,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O
844,ZINC000000020253,2004-07-23,In-Stock,2015-08-07,338.772,0.924,C14H11ClN2O4S,3,22,8,0.07,ECAA,Reference,0.0,3.0,4.0,109.0,2.0,-2.1,-15.04,NS(=O)(=O)c1cc([C@]2(O)NC(=O)c3ccccc32)ccc1Cl
845,ZINC000004658552,2005-12-22,In-Stock,2015-08-07,75.067,-0.97,C2H5NO2,0,5,3,0.5,ABAA,Reference,0.0,1.0,2.0,67.0,1.0,-0.44,-40.35,NCC(=O)O
846,ZINC000003629271,2004-11-09,In-Stock,2015-08-07,247.251,-0.455,C8H10FN3O3S,2,16,8,0.5,BBAA,Reference,0.0,2.0,7.0,90.0,2.0,-2.1,-12.16,Nc1nc(=O)n([C@@H]2CS[C@H](CO)O2)cc1F
847,ZINC000003843198,2005-10-03,In-Stock,2015-08-07,370.314,-1.139,C15H18N2O9,2,26,11,0.53,FAAA,Reference,0.0,1.0,10.0,142.0,5.0,4.21,-18.78,CC(=O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
848,ZINC000000001261,2005-10-05,In-Stock,2015-08-07,310.828,4.019,C19H19ClN2,4,22,3,0.32,DIAA,Reference,1.0,1.0,1.0,29.0,0.0,10.0,-42.56,Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1
849,ZINC000019228902,2008-10-28,In-Stock,2015-08-07,403.979,3.943,C21H26ClN3OS,4,27,6,0.43,HHAA,Reference,1.0,2.0,4.0,31.0,6.0,8.39,-36.86,OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1
850,ZINC000049783788,2010-10-09,In-Stock,2015-08-07,723.65,2.462,C34H36F3NO13,5,51,17,0.5,KECA,Reference,-1.0,4.0,13.0,217.0,10.0,5.17,-59.98,CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O
851,ZINC000001530977,2005-11-07,In-Stock,2015-08-07,287.406,4.985,C21H21N,3,22,1,0.14,CJAA,Reference,1.0,1.0,0.0,4.0,5.0,13.59,-41.69,CN(C/C=C/c1ccccc1)Cc1cccc2ccccc12
852,ZINC000253917094,2016-02-14,In-Stock,2016-03-02,236.278,-1.424,C5H8N4O3S2,1,14,9,0.4,BAAB,Reference,0.0,1.0,6.0,107.0,1.0,-4.29,-12.65,CC(=O)N=c1sc(S(N)(=O)=O)nn1C
853,ZINC000000001148,2004-10-06,In-Stock,2015-08-07,279.383,3.962,C19H21NO,3,21,2,0.26,CHAA,Reference,1.0,1.0,1.0,13.0,3.0,11.13,-41.05,CN(C)CC/C=C1/c2ccccc2COc2ccccc21
854,ZINC000000895048,2004-07-28,In-Stock,2015-08-07,92.094,-1.668,C3H8O3,0,6,3,1.0,AAAA,Reference,0.0,3.0,3.0,60.0,2.0,-6.46,-8.75,OCC(O)CO
855,ZINC000000020245,2005-09-27,In-Stock,2015-08-07,280.415,3.875,C19H24N2,3,21,2,0.37,CHAA,Reference,1.0,1.0,1.0,7.0,4.0,12.58,-35.71,CN(C)CCCN1c2ccccc2CCc2ccccc21
856,ZINC000000003876,2005-09-26,In-Stock,2015-08-07,307.397,3.249,C19H21N3O,3,23,4,0.26,DGAA,Reference,0.0,0.0,3.0,37.0,3.0,10.4,-17.11,Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1
857,ZINC000000057513,2005-10-05,In-Stock,2015-08-07,286.379,2.053,C16H22N4O,2,21,5,0.38,CEAA,Reference,1.0,1.0,4.0,42.0,7.0,10.7,-40.89,COc1ccc(CN(CCN(C)C)c2ncccn2)cc1
858,ZINC000085534098,2013-02-19,In-Stock,2016-03-01,747.964,2.44,C38H69NO13,3,52,14,0.95,KEAA,,,,,,,,,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O
859,ZINC000022448983,2008-12-16,In-Stock,2015-08-07,530.456,5.19,C26H29Cl2N5O3,4,36,10,0.38,KKEA,Reference,1.0,2.0,7.0,84.0,9.0,9.2,-42.52,COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl
860,ZINC000000403609,2005-09-30,In-Stock,2015-08-07,316.427,0.502,C13H24N4O3S,2,21,8,0.85,DCAA,Reference,1.0,2.0,7.0,84.0,6.0,-1.37,-41.31,CC(C)(C)NC[C@@H](O)COc1nsnc1N1CCOCC1
861,ZINC000256433952,2016-02-16,For-Sale,2017-07-16,327.468,4.144,C21H29NO2,4,24,3,0.76,EIEE,,,,,,,,,C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NO)CC[C@@H]4[C@H]3CC[C@]21CC
862,ZINC000000606383,2005-09-26,In-Stock,2015-08-07,437.779,7.016,C20H15Cl3N2OS,4,27,7,0.15,IKAA,Reference,0.0,0.0,4.0,27.0,6.0,14.5,-7.05,Clc1ccc([C@@H](Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1
863,ZINC000000001758,2005-10-05,In-Stock,2015-08-07,320.341,2.733,C17H20O6,2,23,6,0.41,DFAA,Reference,-1.0,1.0,6.0,95.0,6.0,7.09,-52.51,COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)O)C(=O)OC2
864,ZINC000085536932,2013-02-19,In-Stock,2016-03-01,835.944,4.568,C45H57NO14,6,60,15,0.58,KJAA,,,,,,,,,CO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C([C@@H](OC)C(=O)[C@]12C)C3(C)C
865,ZINC000000968330,2004-11-08,In-Stock,2015-08-07,357.435,2.491,C18H19N3O3S,3,25,7,0.28,FEAA,Reference,-1.0,0.0,6.0,73.0,7.0,5.41,-40.31,CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1ccccn1
866,ZINC000003812841,2005-09-27,In-Stock,2015-08-07,404.547,4.196,C24H36O5,3,29,5,0.75,HIAA,Reference,0.0,1.0,5.0,72.0,6.0,11.27,-13.16,CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21
867,ZINC000000968275,2005-09-27,In-Stock,2015-08-07,294.442,4.121,C20H26N2,3,22,2,0.4,CIAA,Reference,1.0,1.0,1.0,7.0,4.0,12.78,-35.52,C[C@H](CN(C)C)CN1c2ccccc2CCc2ccccc21
868,ZINC000004214700,2005-11-15,In-Stock,2015-08-07,426.492,3.081,C23H27FN4O3,5,31,8,0.52,IGAA,Reference,1.0,2.0,6.0,85.0,4.0,9.12,-53.55,Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCC[C@@H]2O
869,ZINC000001484334,2004-08-19,Annotated,2015-08-07,392.58,4.478,C24H40O4,4,28,4,0.96,GIAF,,,,,,,,,C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C
870,ZINC000003079337,2004-11-06,In-Stock,2015-08-07,104.173,-0.315,C5H14NO+,0,7,2,1.0,ABBA,Reference,1.0,1.0,1.0,20.0,2.0,2.42,-27.92,C[N+](C)(C)CCO
871,ZINC000003941496,2005-10-21,In-Stock,2015-08-07,704.869,4.212,C38H52N6O7,3,51,13,0.45,KIGA,Reference,0.0,5.0,9.0,171.0,14.0,9.05,-20.35,COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C
872,ZINC000002539827,2004-10-27,In-Stock,2015-08-07,241.251,-1.7,C9H15N5O3,2,17,8,0.56,BAAA,Reference,0.0,6.0,7.0,136.0,2.0,-5.25,-19.12,C[C@H](O)[C@H](O)[C@@H]1CNc2[nH]c(N)nc(=O)c2N1
873,ZINC000028232746,2009-02-25,Annotated,2017-05-20,723.65,2.462,C34H36F3NO13,5,51,17,0.5,KECF,,,,,,,,,CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@@H](NC(=O)C(F)(F)F)[C@@H](O)[C@@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O
874,ZINC000003991624,2005-10-30,In-Stock,2015-08-07,486.436,4.608,C24H33Cl2NO5,2,32,8,0.5,JJAA,Reference,1.0,4.0,5.0,95.0,16.0,4.95,-48.85,OCc1cc([C@@H](O)CNCCCCCCOCCOCc2c(Cl)cccc2Cl)ccc1O
875,ZINC000000004448,2004-07-23,In-Stock,2015-08-07,293.37,3.129,C18H19N3O,4,22,4,0.33,CGAA,Reference,0.0,0.0,4.0,39.0,2.0,10.66,-21.78,Cc1nccn1C[C@H]1CCc2c(c3ccccc3n2C)C1=O
876,ZINC000101489663,2015-08-08,In-Stock,2016-02-23,317.429,3.261,C19H27NO3,2,23,4,0.58,DGAA,Reference,-1.0,1.0,3.0,69.0,6.0,10.34,-57.19,CC(C)[C@@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1
877,ZINC000008383240,2006-07-12,For-Sale,2016-03-23,354.287,5.061,C14H9Cl2N3S2,3,21,7,0.14,FKGE,,,,,,,,,N#C/C(=C1/SC[C@H](c2ccc(Cl)cc2Cl)S1)n1ccnc1
878,ZINC000000895199,2005-09-26,In-Stock,2015-08-07,197.19,0.052,C9H11NO4,1,14,5,0.22,ACCA,Reference,0.0,3.0,4.0,108.0,3.0,-0.89,-39.16,N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O
879,ZINC000036766734,2009-11-14,In-Stock,2016-03-05,300.442,5.603,C20H28O2,1,22,2,0.45,DKAA,Reference,-1.0,0.0,2.0,40.0,5.0,10.92,-54.22,CC1=C(/C=C\C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1
880,ZINC000001530776,2005-09-26,In-Stock,2015-08-07,278.312,0.193,C13H18N4O3,2,20,7,0.54,CCAA,Reference,0.0,0.0,7.0,78.0,5.0,8.13,-15.24,CC(=O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O
881,ZINC000019362737,2008-10-31,In-Stock,2015-08-07,300.833,3.677,C18H21ClN2,3,21,3,0.33,DHAA,Reference,1.0,1.0,1.0,7.0,3.0,10.6,-37.23,CN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1
882,ZINC000028467879,2009-02-28,In-Stock,2015-08-07,554.592,-1.199,C18H18N8O7S3,4,36,18,0.33,KAEA,Reference,-2.0,2.0,16.0,220.0,8.0,1.64,-135.72,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nc(=O)c(O)nn3C)CS[C@H]12)c1csc(N)n1
883,ZINC000003973334,2005-10-28,In-Stock,2015-08-07,296.41,4.03,C20H24O2,4,22,2,0.6,CIEA,Reference,0.0,0.0,2.0,34.0,0.0,9.74,-12.56,C=C1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12
884,ZINC000000154964,2005-09-27,In-Stock,2015-08-07,246.354,2.726,C15H22N2O,2,18,3,0.53,BFAA,Reference,0.0,1.0,2.0,32.0,2.0,6.04,-7.69,Cc1cccc(C)c1NC(=O)[C@@H]1CCCCN1C
885,ZINC000028232750,2009-02-25,Annotated,2017-05-20,723.65,2.462,C34H36F3NO13,5,51,17,0.5,KECF,Reference,-1.0,4.0,13.0,217.0,10.0,4.37,-57.13,CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@H](NC(=O)C(F)(F)F)[C@@H](O)[C@@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O
886,ZINC000013545634,2008-06-21,In-Stock,2015-08-07,226.276,1.185,C11H18N2O3,1,16,5,0.73,BDAA,Reference,0.0,2.0,3.0,75.0,4.0,1.19,-4.96,CCC[C@@H](C)C1(CC)C(=O)NC(=O)NC1=O
887,ZINC000000008492,2004-10-11,In-Stock,2015-08-07,145.161,1.94,C9H7NO,2,11,2,0.0,ADAA,Reference,0.0,1.0,2.0,33.0,0.0,2.1,-8.71,Oc1cccc2cccnc12
888,ZINC000000113446,2004-07-23,In-Stock,2015-08-07,247.276,0.534,C8H13N3O4S,1,16,8,0.62,BCBA,Reference,0.0,0.0,6.0,95.0,5.0,4.37,-15.96,CCS(=O)(=O)CCn1c([N+](=O)[O-])cnc1C
889,ZINC000054053579,2010-11-29,Annotated,2018-11-06,690.86,2.269,C34H50N4O9S,3,48,14,0.62,KEAF,,,,,,,,,CCN(CC)CCS(=O)(=O)[C@@H]1CCN2C(=O)c3coc(n3)CC(=O)C[C@H](O)/C=C(C)\C=C/CNC(=O)/C=C\[C@@H](C)[C@@H](C(C)C)OC(=O)[C@@H]12
890,ZINC000000075008,2005-09-30,In-Stock,2015-08-07,208.261,1.162,C11H16N2O2,2,15,4,0.64,BDAA,Reference,0.0,0.0,4.0,44.0,3.0,7.11,-12.98,CC[C@@H]1C(=O)OC[C@@H]1Cc1cncn1C
891,ZINC000000601305,2004-07-24,In-Stock,2015-08-07,365.842,2.083,C16H16ClN3O3S,3,24,8,0.19,FEAA,Reference,0.0,2.0,4.0,92.0,3.0,3.93,-19.68,C[C@H]1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
892,ZINC000004099200,2005-11-07,In-Stock,2015-08-07,383.376,2.884,C16H15F2N3O4S,3,26,10,0.25,GFAA,Reference,0.0,1.0,6.0,86.0,7.0,2.41,-16.44,COc1ccnc(C[S@](=O)c2nc3ccc(OC(F)F)cc3[nH]2)c1OC
893,ZINC000003792417,2005-09-26,In-Stock,2015-08-07,411.498,3.835,C24H29NO5,2,30,6,0.38,HHAA,Reference,-1.0,1.0,5.0,95.0,11.0,13.22,-48.12,CCOC(=O)[C@H](C)C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)CCC(=O)O
894,ZINC000001530625,2004-10-06,In-Stock,2015-08-07,314.469,5.736,C21H30O2,3,23,2,0.62,DKAA,Reference,0.0,1.0,2.0,29.0,4.0,10.11,-4.92,CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C)=C[C@@H]21
895,ZINC000000020228,2005-09-27,In-Stock,2015-08-07,239.746,3.299,C13H18ClNO,1,16,3,0.46,BGAA,Reference,1.0,1.0,1.0,33.0,3.0,7.0,-38.73,C[C@H](NC(C)(C)C)C(=O)c1cccc(Cl)c1
896,ZINC000100371951,2015-08-08,Annotated,2015-08-08,541.736,1.985,C25H39N3O6S2,1,36,11,0.64,KDEF,,,,,,,,,C/C=C1\NC(=O)[C@@H](CS)NC(=O)[C@@H](C(C)C)CC(=O)C[C@@H](/C=C/CCS)OC(=O)[C@H](C(C)C)NC1=O
897,ZINC000006745272,2006-04-22,In-Stock,2015-08-07,482.821,5.689,C21H15ClF4N4O3,3,33,12,0.1,JKAA,Reference,0.0,3.0,4.0,92.0,5.0,6.66,-13.41,CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(F)c2)ccn1
898,ZINC000060183170,2011-03-16,In-Stock,2015-08-08,615.634,-8.862,C23H45N5O14,4,42,19,1.0,KAAA,,,,,,,,,NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O
899,ZINC000003798763,2005-09-26,In-Stock,2015-08-07,424.534,2.44,C23H36O7,2,30,7,0.74,HEAA,Reference,-1.0,3.0,7.0,127.0,10.0,6.73,-54.4,CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21
900,ZINC000059111167,2011-02-25,For-Sale,2015-08-07,113.16,1.331,C6H11NO,0,8,2,0.83,ADGE,,,,,,,,,[C-]#[N+]CC(C)(C)OC
901,ZINC000022002214,2008-12-11,In-Stock,2015-08-07,276.38,1.963,C16H24N2O2,3,20,4,0.69,CDAA,Reference,0.0,1.0,3.0,45.0,3.0,5.27,-11.3,CCc1c(C)[nH]c2c1C(=O)[C@H](CN1CCOCC1)CC2
902,ZINC000001530760,2004-10-06,In-Stock,2015-08-07,341.451,3.241,C21H27NO3,2,25,4,0.38,EGAA,Reference,1.0,2.0,3.0,63.0,11.0,9.61,-46.11,CCCNC[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1
903,ZINC000005224188,2006-01-26,In-Stock,2015-08-07,78.136,-0.005,C2H6OS,0,4,2,1.0,ABAA,Reference,0.0,0.0,1.0,17.0,0.0,-0.19,-10.95,CS(C)=O
904,ZINC000027990463,2009-02-22,In-Stock,2015-08-07,693.732,8.382,C39H37F6N3O2,6,50,11,0.33,KKAA,Reference,1.0,3.0,2.0,62.0,10.0,19.63,-47.63,O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1-c1ccc(C(F)(F)F)cc1
905,ZINC000008214573,2006-07-04,In-Stock,2016-02-24,114.147,-0.321,H2O3S2,0,5,5,0.0,ABAA,Reference,0.0,1.0,3.0,60.0,0.0,-2.92,-9.57,O=S(O)(O)=S
906,ZINC000003798734,2005-11-15,In-Stock,2015-08-07,326.436,5.167,C21H26O3,1,24,3,0.29,EKAA,Reference,-1.0,0.0,3.0,49.0,6.0,11.12,-56.92,COc1cc(C)c(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)c(C)c1C
907,ZINC000013587680,2008-06-22,In-Stock,2015-08-07,360.494,3.541,C22H32O4,2,26,4,0.68,FHEA,Reference,-1.0,2.0,4.0,80.0,8.0,9.16,-48.46,CC#CC[C@H](C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O
908,ZINC000000968326,2005-09-26,In-Stock,2015-08-07,356.447,3.16,C19H20N2O3S,3,25,6,0.32,FGAA,Reference,-1.0,0.0,5.0,70.0,7.0,5.38,-38.34,CCc1ccc(CCOc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc1
909,ZINC000100074252,2015-08-08,In-Stock,2016-03-01,529.458,1.657,C22H29FN3O9P,3,36,14,0.5,KDAA,Reference,0.0,3.0,10.0,158.0,10.0,5.02,-21.24,CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1
910,ZINC000000968263,2005-10-04,In-Stock,2015-08-07,275.395,4.554,C20H21N,3,21,1,0.2,CJAA,Reference,1.0,1.0,0.0,4.0,3.0,12.77,-36.68,CN(C)CCC=C1c2ccccc2C=Cc2ccccc21
911,ZINC000003875439,2005-10-05,In-Stock,2015-08-07,401.444,1.895,C19H19N3O5S,4,28,9,0.37,HDAA,Reference,-1.0,1.0,7.0,115.0,4.0,6.63,-52.15,Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12
912,ZINC000019363537,2008-10-31,In-Stock,2015-08-07,189.307,-2.327,C8H23N5,0,13,5,1.0,AAAA,Reference,3.0,5.0,2.0,95.0,10.0,-5.5,-161.06,NCCNCCNCCNCCN
913,ZINC000001530737,2004-10-06,In-Stock,2015-08-07,331.467,1.322,C12H21N5O2S2,1,21,9,0.58,EDAA,Reference,0.0,2.0,8.0,83.0,10.0,4.92,-13.07,CN/C(=C/[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1
914,ZINC000004212945,2005-11-15,In-Stock,2015-08-07,508.558,3.52,C27H34F2O7,4,36,9,0.7,KHEA,Reference,0.0,1.0,7.0,106.0,6.0,12.19,-21.67,CCCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
915,ZINC000049643479,2010-10-07,In-Stock,2015-08-07,293.322,4.026,C18H15NO3,3,22,4,0.11,CIAA,Reference,-1.0,0.0,4.0,66.0,5.0,8.5,-48.64,O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1
916,ZINC000003921872,2005-10-26,In-Stock,2015-08-07,412.614,5.091,C27H40O3,4,30,3,0.7,HKEA,Reference,0.0,3.0,3.0,60.0,5.0,7.38,-5.16,C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](O)C2CC2)C[C@@H](O)C[C@@H]1O
917,ZINC000256433948,2016-02-16,For-Sale,2017-07-16,327.468,4.144,C21H29NO2,4,24,3,0.76,EIEE,,,,,,,,,C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NO)CC[C@@H]4[C@@H]3CC[C@]21CC
918,ZINC000095616603,2014-01-13,In-Stock,2015-08-08,339.366,-0.395,C12H21NO8S,3,22,10,1.0,EBAA,Reference,0.0,1.0,8.0,115.0,3.0,-1.83,-12.48,CC1(C)O[C@@H]2CO[C@@]3(COS(N)(=O)=O)OC(C)(C)O[C@H]3[C@@H]2O1
919,ZINC000003993855,2005-10-31,In-Stock,2015-08-07,389.411,2.211,C22H19N3O4,6,29,7,0.27,GEAA,Reference,0.0,1.0,4.0,74.0,1.0,6.82,-11.81,CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3c(c2)OCO3)C1=O
920,ZINC000000538621,2005-09-26,In-Stock,2015-08-07,446.511,3.657,C24H26N6O3,4,33,9,0.29,IHAA,Reference,-2.0,1.0,8.0,130.0,8.0,10.56,-99.33,CCCc1nc(C(C)(C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1
921,ZINC000014961096,2008-07-18,In-Stock,2015-08-07,339.399,0.394,C18H21N5O2,3,25,7,0.39,ECEA,Reference,1.0,1.0,6.0,98.0,3.0,7.35,-74.13,Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1=O
922,ZINC000000607971,2005-09-26,In-Stock,2015-08-07,416.135,6.455,C18H14Cl4N2O,3,25,7,0.17,HKAA,Reference,0.0,0.0,3.0,27.0,6.0,13.63,-6.46,Clc1ccc(CO[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
923,ZINC000100036955,2015-08-08,In-Stock,2015-08-08,167.296,2.421,C11H21N,2,12,1,1.0,AEAA,,,,,,,,,CN[C@]1(C)[C@H]2CC[C@@H](C2)C1(C)C
924,ZINC000000006156,2005-09-27,In-Stock,2015-08-07,273.357,2.01,C15H15NO2S,2,19,4,0.13,CEAA,Reference,0.0,1.0,2.0,60.0,5.0,4.05,-17.75,NC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1
925,ZINC000006858022,2006-04-28,In-Stock,2015-08-07,408.579,3.449,C24H40O5,4,29,5,0.96,HGAA,Reference,-1.0,3.0,5.0,100.0,4.0,4.47,-51.13,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O
926,ZINC000150338708,2015-08-08,In-Stock,2015-08-08,761.85,3.413,C39H43N3O11S,10,54,15,0.49,KGCA,Reference,0.0,4.0,15.0,168.0,3.0,4.26,-19.63,COc1cc2c(cc1O)CCN[C@]21CS[C@@H]2c3c(OC(C)=O)c(C)c4c(c3[C@H](COC1=O)N1[C@@H](O)[C@@H]3Cc5cc(C)c(OC)c(O)c5[C@H]([C@H]21)N3C)OCO4
927,ZINC000000000128,2005-09-27,In-Stock,2015-08-07,292.379,1.699,C16H24N2O3,2,21,5,0.56,CDAA,Reference,1.0,3.0,3.0,75.0,5.0,2.8,-45.71,CC(C)(C)NC[C@@H](O)COc1cccc2c1CCC(=O)N2
928,ZINC000068204830,2011-09-30,In-Stock,2015-08-08,738.89,6.222,C40H50N8O6,6,54,14,0.45,KKAA,Reference,0.0,4.0,8.0,174.0,11.0,12.74,-26.52,COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C
929,ZINC000100052205,2015-08-08,In-Stock,2015-08-08,167.296,2.421,C11H21N,2,12,1,1.0,AEAA,,,,,,,,,CN[C@@]1(C)[C@H]2CC[C@@H](C2)C1(C)C
930,ZINC000001530717,2004-10-06,In-Stock,2015-08-07,267.369,1.613,C15H25NO3,1,19,4,0.6,CDAA,Reference,1.0,2.0,3.0,55.0,9.0,3.64,-41.7,COCCc1ccc(OC[C@@H](O)CNC(C)C)cc1
931,ZINC000000097996,2005-09-30,In-Stock,2015-08-07,206.314,2.495,C11H14N2S,2,14,3,0.36,BEAA,Reference,1.0,1.0,2.0,17.0,2.0,6.86,-25.88,CN1CCCN=C1/C=C/c1cccs1
932,ZINC000028973441,2009-03-09,For-Sale,2015-08-07,314.728,2.583,C16H11ClN2O3,3,22,6,0.06,DFAE,Reference,-1.0,1.0,4.0,81.0,2.0,5.45,-47.22,O=C(O)[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O
933,ZINC000019632917,2008-11-05,In-Stock,2015-08-07,299.761,2.951,C16H14ClN3O,3,21,5,0.12,CFAA,Reference,1.0,1.0,3.0,44.0,1.0,7.55,-35.76,CNC1=Nc2ccc(Cl)cc2C(c2ccccc2)=[N+]([O-])C1
934,ZINC000001530652,2004-10-06,In-Stock,2015-08-07,335.879,3.783,C18H26ClN3O,2,23,5,0.5,EHAA,Reference,1.0,3.0,3.0,49.0,9.0,6.89,-42.45,CCN(CCO)CCC[C@@H](C)Nc1ccnc2cc(Cl)ccc12
935,ZINC000095617679,2014-01-17,In-Stock,2016-03-05,812.018,4.929,C43H65N5O10,5,58,15,0.72,KJAB,,,,,,,,,CC[C@@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)O[C@@]12C
936,ZINC000001997125,2004-10-10,In-Stock,2015-08-07,273.248,-0.33,C13H11N3O4,3,20,7,0.23,CBAA,Reference,0.0,2.0,5.0,109.0,1.0,0.43,-13.72,Nc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O
937,ZINC000000896557,2004-07-28,In-Stock,2015-08-07,312.417,2.318,C18H24N4O,4,23,5,0.56,DEAA,,,,,,,,,CN1[C@H]2CCC[C@H]1CC(NC(=O)c1nn(C)c3ccccc13)C2
938,ZINC000100006264,2015-08-08,In-Stock,2015-08-08,308.333,3.61,C19H16O4,3,23,4,0.16,DHAA,Reference,-1.0,0.0,4.0,70.0,4.0,9.79,-44.65,CC(=O)C[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O
939,ZINC000019632628,2008-11-05,In-Stock,2015-08-07,383.517,2.856,C21H25N3O2S,4,27,6,0.38,GFAA,Reference,0.0,1.0,6.0,48.0,5.0,6.33,-12.17,OCCOCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1
940,ZINC000100037885,2015-08-08,In-Stock,2015-08-08,315.417,1.158,C18H25N3O2,6,23,5,0.89,DDEB,,,,,,,,,N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2
941,ZINC000004097286,2005-11-07,In-Stock,2015-08-07,430.541,2.717,C25H34O6,5,31,6,0.76,IFEA,Reference,0.0,2.0,6.0,93.0,4.0,6.63,-13.07,CCC[C@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1
942,ZINC000026664090,2009-02-08,Annotated,2017-05-19,670.855,3.092,C38H50N6O5,5,49,11,0.5,KGAF,Reference,1.0,6.0,6.0,167.0,12.0,8.56,-55.45,CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1
943,ZINC000026011099,2009-02-03,In-Stock,2015-08-07,545.629,2.581,C29H39NO9,5,39,10,0.66,KFAA,Reference,1.0,3.0,9.0,125.0,9.0,8.97,-45.52,COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4
944,ZINC000001530701,2004-10-06,In-Stock,2015-08-07,218.253,0.983,C9H18N2O4,0,15,6,0.78,BCAA,Reference,0.0,2.0,4.0,104.0,6.0,-2.52,-10.78,CCCC(C)(COC(N)=O)COC(N)=O
945,ZINC000001554010,2004-10-06,In-Stock,2015-08-07,329.393,2.683,C16H27NO6,1,23,7,0.81,EFAA,Reference,-1.0,1.0,6.0,104.0,7.0,8.13,-50.59,CC(C)C(=O)O[C@@H](C)OC(=O)NCC1(CC(=O)O)CCCCC1
946,ZINC000000968255,2005-09-27,In-Stock,2015-08-07,336.432,2.365,C18H28N2O4,1,24,6,0.56,EEAA,Reference,1.0,3.0,4.0,92.0,10.0,5.26,-47.11,CCCC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c(C(C)=O)c1
947,ZINC000000968310,2005-09-27,In-Stock,2015-08-07,265.36,2.479,C17H19N3,4,20,3,0.35,CEAA,Reference,1.0,0.0,3.0,19.0,0.0,8.59,-38.07,CN1CCN2c3ncccc3Cc3ccccc3[C@H]2C1
948,ZINC000019166988,2008-10-27,In-Stock,2015-08-07,221.304,1.049,C12H19N3O,1,16,4,0.42,BDAA,Reference,0.0,3.0,3.0,53.0,5.0,2.78,-8.09,CNNCc1ccc(C(=O)NC(C)C)cc1
949,ZINC000169621231,2015-08-08,Annotated,2015-08-08,958.24,6.197,C53H83NO14,4,68,15,0.75,KKAF,,,,,,,,,CO[C@H]1C[C@H]2CC[C@H](C)[C@](O)(O2)C(=O)C(=O)N2CCCC[C@@H]2C(=O)O[C@@H]([C@@H](C)C[C@@H]2CC[C@@H](OCCO)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@@H](C)C[C@@H](C)/C=C/C=C/C=C/1C
950,ZINC000001850376,2004-10-09,In-Stock,2015-08-07,391.294,6.113,C21H20Cl2O3,3,26,5,0.29,GKAA,Reference,0.0,0.0,3.0,35.0,6.0,13.83,-6.59,CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)OCc1cccc(Oc2ccccc2)c1
951,ZINC000000266964,2005-09-30,In-Stock,2015-08-07,181.191,0.347,C9H11NO3,1,13,4,0.22,ACAA,Reference,0.0,2.0,3.0,88.0,3.0,1.18,-37.2,N[C@@H](Cc1ccc(O)cc1)C(=O)O
952,ZINC000019796155,2008-11-10,In-Stock,2015-08-07,326.831,3.723,C18H19ClN4,4,23,5,0.28,EHAA,Reference,0.0,1.0,4.0,30.0,0.0,7.53,-7.22,CN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1
953,ZINC000003815424,2005-09-29,In-Stock,2015-08-07,310.437,3.916,C21H26O2,4,23,2,0.62,DHEA,Reference,0.0,1.0,2.0,29.0,1.0,8.0,-5.76,C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C
954,ZINC000013597823,2008-06-22,In-Stock,2015-08-07,236.231,-0.211,C10H12N4O3,3,17,7,0.5,BBAA,Reference,0.0,2.0,6.0,93.0,2.0,1.07,-21.44,O=c1[nH]cnc2c1ncn2[C@H]1CC[C@@H](CO)O1
955,ZINC000003079340,2004-11-06,In-Stock,2015-08-07,162.209,-0.472,C7H16NO3+,0,11,4,0.86,ABBA,Reference,0.0,1.0,3.0,60.0,4.0,4.42,-54.26,C[N+](C)(C)C[C@H](O)CC(=O)O
956,ZINC000014210642,2008-07-05,In-Stock,2015-08-07,568.542,4.705,C30H24N4O8,6,42,12,0.17,KJAA,Reference,-1.0,0.0,11.0,153.0,9.0,13.97,-57.17,CCOc1nc2cccc(C(=O)OCc3oc(=O)oc3C)c2n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
957,ZINC000003916214,2005-10-18,In-Stock,2015-08-07,557.054,5.932,C30H29ClN6O3,4,40,10,0.2,KKEA,Reference,1.0,3.0,7.0,113.0,11.0,11.99,-49.63,CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C
958,ZINC000001530756,2004-10-06,In-Stock,2015-08-07,235.331,1.34,C13H21N3O,1,17,4,0.46,BDAA,Reference,1.0,3.0,2.0,59.0,6.0,4.11,-40.9,CCN(CC)CCNC(=O)c1ccc(N)cc1
959,ZINC000000537891,2005-10-04,In-Stock,2015-08-07,361.373,1.544,C18H20FN3O4,4,26,8,0.44,FDAA,Reference,-1.0,0.0,7.0,77.0,2.0,6.15,-63.18,C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23
960,ZINC000003830947,2005-09-30,In-Stock,2015-08-07,777.088,-1.014,C17H22I3N3O8,1,31,14,0.47,KAAA,Reference,0.0,8.0,8.0,188.0,10.0,-5.03,-17.71,C[C@H](O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I
961,ZINC000001530613,2004-10-06,In-Stock,2015-08-07,309.494,4.402,C19H35NO2,2,22,3,0.95,DIAA,Reference,1.0,1.0,2.0,30.0,7.0,12.38,-34.14,CCN(CC)CCOC(=O)C1(C2CCCCC2)CCCCC1
962,ZINC000084758479,2013-02-06,In-Stock,2016-03-01,433.577,4.724,C25H27N3O2S,5,31,6,0.32,IJAA,Reference,1.0,2.0,4.0,49.0,7.0,11.05,-56.03,O=c1ccc2ccc(OCCCCN3CCN(c4cccc5sccc45)CC3)cc2[nH]1
963,ZINC000001530886,2005-09-26,In-Stock,2015-08-07,514.629,7.264,C33H30N4O2,6,39,6,0.18,KKAA,Reference,-1.0,0.0,6.0,75.0,7.0,19.36,-78.33,CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
964,ZINC000001481815,2005-10-20,In-Stock,2015-08-07,373.368,3.711,C21H15N3O4,4,28,7,0.0,FHAA,Reference,-1.0,2.0,7.0,111.0,4.0,7.62,-52.06,O=C(O)c1ccc(-n2nc(-c3ccccc3O)nc2-c2ccccc2O)cc1
965,ZINC000000537805,2004-07-24,In-Stock,2015-08-07,494.013,3.846,C23H28ClN3O5S,3,33,10,0.39,JHEA,Reference,-1.0,2.0,5.0,119.0,7.0,7.33,-70.81,COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)/N=C(\O)NC2CCCCC2)cc1
966,ZINC000164760756,2015-08-08,In-Stock,2017-04-04,749.956,5.254,C38H47N5O7S2,7,52,14,0.55,KKAB,Reference,-1.0,1.0,10.0,158.0,8.0,11.11,-66.18,COc1ccc2c(O[C@@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C
967,ZINC000003929486,2005-10-20,In-Stock,2015-08-07,354.287,5.061,C14H9Cl2N3S2,3,21,7,0.14,FKGA,,,,,,,,,N#C/C(=C1/SC[C@@H](c2ccc(Cl)cc2Cl)S1)n1ccnc1
968,ZINC000053229445,2010-11-18,In-Stock,2015-08-07,529.786,4.408,C32H53N2O4+,6,38,6,0.91,KIEA,Reference,2.0,2.0,4.0,60.0,5.0,13.72,-78.16,C=CC[N+]1([C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)[C@@H](N6CCOCC6)C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2OC(C)=O)CCCC1
969,ZINC000000004413,2005-09-26,In-Stock,2015-08-07,250.342,2.76,C14H22N2O2,1,18,4,0.5,CFAA,Reference,1.0,1.0,2.0,33.0,4.0,8.56,-39.93,CCN(C)C(=O)Oc1cccc([C@H](C)N(C)C)c1
970,ZINC000000000903,2005-09-27,In-Stock,2015-08-07,308.772,3.58,C17H13ClN4,4,22,5,0.12,DHAA,Reference,0.0,0.0,4.0,43.0,1.0,9.13,-11.97,Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2
971,ZINC000001530812,2004-10-06,In-Stock,2015-08-07,288.435,3.897,C18H28N2O,2,21,3,0.61,CHAA,Reference,1.0,2.0,1.0,33.0,5.0,10.29,-35.67,CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C
972,ZINC000003779042,2005-09-26,In-Stock,2015-08-07,267.245,-0.196,C10H13N5O4,2,19,9,0.6,CBCA,Reference,0.0,2.0,6.0,133.0,3.0,-3.8,-14.82,Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O
973,ZINC000014210455,2008-07-05,In-Stock,2015-08-07,519.687,1.711,C27H45N5O5,3,37,10,0.81,KDAA,Reference,0.0,4.0,5.0,150.0,8.0,6.28,-12.28,CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C
974,ZINC000000897002,2005-11-07,In-Stock,2015-08-07,274.408,3.506,C17H26N2O,2,20,3,0.59,CHAA,Reference,1.0,2.0,1.0,33.0,4.0,9.51,-35.09,CCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C
975,ZINC000000006300,2005-09-27,In-Stock,2015-08-07,305.341,2.641,C17H15N5O,3,23,6,0.18,DFEA,Reference,0.0,0.0,5.0,74.0,3.0,8.65,-16.69,CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1
976,ZINC000004215234,2005-11-15,For-Sale,2015-08-07,506.591,1.293,C19H18N6O5S3,4,33,14,0.26,KDEE,Reference,-1.0,2.0,12.0,162.0,7.0,5.18,-67.3,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(/C=C\c3scnc3C)CS[C@H]12)c1csc(N)n1
977,ZINC000003995811,2005-10-31,In-Stock,2015-08-07,606.782,8.683,C32H47F5O3S,4,41,9,0.81,KKAA,Reference,0.0,2.0,3.0,57.0,14.0,13.58,-17.77,C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCC[S@](=O)CCCC(F)(F)C(F)(F)F)[C@@H]3[C@@H]1CC[C@@H]2O
978,ZINC000053045054,2010-11-16,In-Stock,2015-08-07,303.833,4.195,C18H22ClNO,2,21,3,0.33,DIGA,,,,,,,,,C[C@@H](COc1ccccc1)N(CCCl)Cc1ccccc1
979,ZINC000000001979,2005-09-27,In-Stock,2015-08-07,218.256,0.538,C12H14N2O2,2,16,4,0.33,BCAA,Reference,0.0,2.0,2.0,58.0,2.0,2.12,-13.17,CCC1(c2ccccc2)C(=O)NCNC1=O
980,ZINC000000057533,2004-07-23,In-Stock,2015-08-07,284.359,2.206,C17H20N2O2,2,21,4,0.29,CEAA,Reference,0.0,1.0,3.0,53.0,6.0,5.9,-9.94,CCN(Cc1ccncc1)C(=O)[C@H](CO)c1ccccc1
981,ZINC000150338698,2015-08-08,In-Stock,2016-03-04,668.717,-8.235,C25H44N14O8,2,47,22,0.6,KAAB,Reference,3.0,15.0,11.0,383.0,10.0,-15.14,-179.07,NCCC[C@H](N)CC(=O)NC[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](N)CNC(=O)[C@H]([C@H]2CCN=C(N)N2)NC(=O)/C(=C\NC(N)=O)NC1=O
982,ZINC000000895316,2004-07-28,In-Stock,2015-08-07,76.095,-0.641,C3H8O2,0,5,2,1.0,ABAA,Reference,0.0,2.0,2.0,40.0,1.0,-3.42,-5.19,C[C@H](O)CO
983,ZINC000000136138,2004-07-23,In-Stock,2015-08-07,228.247,2.632,C14H12O3,2,17,3,0.07,BFAA,Reference,-1.0,0.0,3.0,49.0,3.0,5.24,-49.96,COc1ccc(C(=O)c2ccccc2)c(O)c1
984,ZINC000002539702,2004-10-27,In-Stock,2015-08-07,178.14,-3.013,C6H10O6,1,12,6,0.83,AAAA,Reference,0.0,4.0,6.0,107.0,1.0,-7.41,-10.27,O=C1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
985,ZINC000003938686,2005-10-21,In-Stock,2015-08-07,447.543,2.966,C24H29N7O2,5,33,9,0.46,IFAA,Reference,1.0,2.0,8.0,109.0,5.0,12.62,-56.98,CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O
986,ZINC000000896740,2004-07-28,In-Stock,2015-08-07,416.135,6.455,C18H14Cl4N2O,3,25,7,0.17,HKAA,Reference,0.0,0.0,3.0,27.0,6.0,13.08,-6.5,Clc1ccc(CO[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
987,ZINC000022002218,2008-12-11,In-Stock,2015-08-07,276.38,1.963,C16H24N2O2,3,20,4,0.69,CDAA,Reference,0.0,1.0,3.0,45.0,3.0,5.52,-11.29,CCc1c(C)[nH]c2c1C(=O)[C@@H](CN1CCOCC1)CC2
988,ZINC000003995807,2005-10-31,In-Stock,2015-08-07,606.782,8.683,C32H47F5O3S,4,41,9,0.81,KKAA,Reference,0.0,2.0,3.0,57.0,14.0,13.58,-17.39,C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCC[S@@](=O)CCCC(F)(F)C(F)(F)F)[C@@H]3[C@@H]1CC[C@@H]2O
989,ZINC000027641461,2009-02-18,Annotated,2016-02-29,368.514,3.433,C21H36O5,1,26,5,0.76,FGAF,,,,,,,,,CCCCC[C@](C)(O)/C=C/[C@H]1[C@@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O
990,ZINC000001842633,2004-10-09,In-Stock,2015-08-07,255.361,3.725,C17H21NO,2,19,2,0.29,CHAA,Reference,1.0,1.0,1.0,25.0,6.0,9.17,-40.78,CNCC[C@@H](Oc1ccccc1C)c1ccccc1
991,ZINC000085536990,2013-02-19,In-Stock,2015-08-08,810.466,5.719,C43H68ClNO11,4,56,13,0.81,KKGA,,,,,,,,,CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
992,ZINC000008552123,2006-08-01,In-Stock,2015-08-07,317.429,3.238,C19H27NO3,3,23,4,0.63,DGAA,Reference,0.0,0.0,4.0,38.0,4.0,7.3,-9.16,COc1cc2c(cc1OC)[C@H]1CC(=O)[C@@H](CC(C)C)CN1CC2
993,ZINC000014879992,2008-07-16,In-Stock,2015-08-07,457.483,0.187,C23H27N3O7,4,33,10,0.43,JCEA,Reference,-1.0,4.0,8.0,171.0,3.0,3.38,-87.43,CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C2=O
994,ZINC000003830212,2005-09-30,In-Stock,2015-08-07,645.319,6.936,C25H29I2NO3,3,31,6,0.4,KKAA,Reference,1.0,1.0,3.0,43.0,11.0,16.8,-36.96,CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1
995,ZINC000003813088,2005-09-27,In-Stock,2015-08-07,354.487,3.475,C20H34O5,1,25,5,0.8,FGAA,Reference,-1.0,2.0,5.0,97.0,13.0,7.89,-49.65,CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O
996,ZINC000001482184,2004-08-19,In-Stock,2015-08-07,194.154,-2.078,C6H6N6O2,2,14,8,0.17,AAAA,Reference,0.0,1.0,7.0,108.0,1.0,-0.16,-10.43,Cn1nnc2c(C(N)=O)ncn2c1=O
997,ZINC000003820029,2005-09-29,In-Stock,2015-08-07,472.553,1.147,C25H28N8O2,5,35,10,0.4,JDEA,Reference,1.0,1.0,9.0,118.0,4.0,11.99,-62.51,CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C
998,ZINC000000896717,2004-07-28,In-Stock,2015-08-07,575.687,6.271,C31H33N3O6S,5,41,10,0.29,KKEA,Reference,-1.0,1.0,7.0,117.0,8.0,10.92,-64.39,COc1cc(/C(O)=N/S(=O)(=O)c2ccccc2C)ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12
999,ZINC000169990691,2015-08-08,In-Stock,2015-08-08,151.933,0.043,C7H6BFO2,2,11,4,0.14,ACIA,,,,,,,,,OB1OCc2cc(F)ccc21
1000,ZINC000001690324,2004-10-07,In-Stock,2015-08-07,308.311,1.879,C14H12O6S,2,21,7,0.07,DDAA,Reference,-1.0,0.0,6.0,106.0,4.0,1.26,-52.46,COc1cc(O)c(C(=O)c2ccccc2)cc1S(=O)(=O)O
1001,ZINC000000897385,2004-07-28,In-Stock,2015-08-07,387.719,5.863,C16H13Cl3N2OS,3,23,7,0.19,GKAA,Reference,0.0,0.0,4.0,27.0,6.0,11.6,-6.54,Clc1ccc([C@H](Cn2ccnc2)OCc2ccsc2Cl)c(Cl)c1
1002,ZINC000043200832,2010-05-09,In-Stock,2015-08-07,548.069,1.29,C24H30ClN7O4S,4,37,13,0.5,KDAA,Reference,0.0,3.0,8.0,136.0,5.0,3.78,-25.53,CN1CCc2nc(C(=O)N[C@@H]3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1
1003,ZINC000000000850,2005-09-26,In-Stock,2015-08-07,236.296,2.732,C11H12N2O2S,2,16,5,0.18,BFAA,Reference,0.0,2.0,3.0,66.0,2.0,2.48,-10.22,C[C@@H](c1cc2ccccc2s1)N(O)C(N)=O
1004,ZINC000096309558,2014-05-07,In-Stock,2017-04-13,645.608,-8.722,C25H43NO18,3,44,19,0.88,KAEA,,,,,,,,,C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O
1005,ZINC000001542392,2004-10-06,In-Stock,2015-08-07,389.456,1.351,C19H27N5O4,3,28,9,0.53,GDAA,Reference,0.0,2.0,8.0,111.0,8.0,6.8,-19.53,COc1cc2nc(N(C)CCCNC(=O)[C@@H]3CCCO3)nc(N)c2cc1OC
1006,ZINC000001530940,2004-10-06,In-Stock,2015-08-07,289.419,3.924,C18H27NO2,2,21,3,0.61,CHAA,Reference,1.0,1.0,2.0,30.0,8.0,10.74,-40.56,CCCCOc1ccc(C(=O)CCN2CCCCC2)cc1
1007,ZINC000169289388,2015-08-08,In-Stock,2016-02-28,914.187,6.181,C51H79NO13,4,65,14,0.75,KKAA,,,,,,,,,CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
1008,ZINC000000009689,2004-07-23,In-Stock,2015-08-07,317.429,3.261,C19H27NO3,2,23,4,0.58,DGAA,Reference,-1.0,1.0,3.0,69.0,6.0,10.31,-58.49,CC(C)C1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1
1009,ZINC000000896595,2004-07-28,In-Stock,2015-08-07,321.163,3.101,C15H10Cl2N2O2,3,21,6,0.07,DGAA,Reference,0.0,2.0,3.0,61.0,1.0,2.45,-11.75,O=C1Nc2ccc(Cl)cc2C(c2ccccc2Cl)=N[C@@H]1O
1010,ZINC000004217475,2005-11-15,In-Stock,2015-08-07,342.297,-5.396,C12H22O11,2,23,11,1.0,EAAA,,,,,,,,,OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
1011,ZINC000002561203,2004-10-27,In-Stock,2015-08-07,210.273,2.718,C12H18O3,1,15,3,0.5,BFAA,Reference,0.0,1.0,3.0,38.0,6.0,3.9,-6.12,CCCCOCc1ccc(O)c(OC)c1
1012,ZINC000001530805,2004-10-06,In-Stock,2015-08-07,141.17,0.449,C7H11NO2,1,10,3,0.71,ACAA,Reference,0.0,1.0,2.0,46.0,1.0,1.01,-7.66,CC[C@@]1(C)CC(=O)NC1=O
1013,ZINC000006827693,2006-04-26,In-Stock,2015-08-07,62.024,0.222,CH2O3,0,4,3,0.0,ACAA,Reference,-1.0,1.0,2.0,60.0,0.0,-0.01,-40.52,O=C(O)O
1014,ZINC000245224194,2016-02-05,In-Stock,2016-02-25,146.055,3.169,F6S,0,7,7,0.0,AGGA,,,,,,,,,FS(F)(F)(F)(F)F
1015,ZINC000000537957,2005-11-15,In-Stock,2015-08-07,387.23,1.784,C15H19BrN2O5,1,23,8,0.4,GDAA,Reference,-2.0,1.0,6.0,112.0,7.0,7.26,-124.39,Cc1cc(C)c(NC(=O)CN(CC(=O)O)CC(=O)O)c(C)c1Br
1016,ZINC000019875504,2008-11-12,In-Stock,2015-08-07,171.243,1.897,C12H13N,2,13,1,0.33,ADEA,Reference,1.0,1.0,0.0,16.0,2.0,6.64,-37.59,C#CCN[C@@H]1CCc2ccccc21
1017,ZINC000001886617,2004-10-09,In-Stock,2015-08-07,411.473,4.628,C24H26FNO4,3,30,6,0.29,HJAA,Reference,-1.0,2.0,5.0,85.0,8.0,11.24,-52.04,CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
1018,ZINC000096272772,2014-05-02,In-Stock,2015-08-08,558.148,6.362,C28H36ClN5O3S,4,38,10,0.43,KKAA,Reference,1.0,3.0,7.0,109.0,9.0,14.26,-54.25,Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCNCC1
1019,ZINC000000006481,2005-09-27,In-Stock,2015-08-07,234.202,2.777,C8H5F3N2OS,2,15,7,0.12,BFAA,Reference,0.0,1.0,4.0,48.0,1.0,2.72,-4.88,Nc1nc2ccc(OC(F)(F)F)cc2s1
1020,ZINC000000155694,2004-07-23,In-Stock,2015-08-07,261.089,1.884,C7H15Cl2N2O2P,1,14,7,1.0,CDGA,,,,,,,,,O=[P@]1(N(CCCl)CCCl)NCCCO1
1021,ZINC000003876023,2005-10-05,In-Stock,2016-02-24,384.516,4.426,C24H32O4,4,28,4,0.75,GIEA,Reference,0.0,0.0,4.0,52.0,2.0,13.59,-12.83,C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=C[C@@H](OC(C)=O)CC[C@@H]4[C@H]3CC[C@@]21C
1022,ZINC000008214483,2006-07-04,In-Stock,2015-08-07,585.608,-8.424,C22H43N5O13,3,40,18,0.95,KAAA,,,,,,,,,NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](N)[C@H]1O
1023,ZINC000052957434,2010-11-15,In-Stock,2015-08-07,312.442,3.439,C17H20N4S,4,22,5,0.35,DGAA,Reference,0.0,1.0,5.0,30.0,0.0,6.9,-7.53,Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1
1024,ZINC000000537795,2004-07-24,In-Stock,2015-08-07,445.545,2.283,C21H27N5O4S,3,31,10,0.43,IEEA,Reference,-1.0,2.0,6.0,136.0,6.0,3.29,-68.75,Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)/N=C(\O)NC3CCCCC3)cc2)cn1
1025,ZINC000004215736,2005-11-15,In-Stock,2015-08-07,301.386,1.725,C18H23NO3,5,22,4,0.67,DDAA,Reference,1.0,2.0,3.0,43.0,1.0,5.45,-49.05,COc1ccc2c3c1O[C@H]1[C@@H](O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314
1026,ZINC000003830993,2005-09-30,In-Stock,2015-08-07,776.872,4.557,C15H11I4NO4,2,24,9,0.13,KJAA,Reference,0.0,2.0,4.0,97.0,5.0,8.62,-36.76,N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O
1027,ZINC000000000693,2004-07-23,In-Stock,2015-08-07,195.218,0.737,C10H13NO3,1,14,4,0.3,ACAA,Reference,0.0,2.0,3.0,88.0,3.0,1.61,-34.8,C[C@](N)(Cc1ccc(O)cc1)C(=O)O
1028,ZINC000001542002,2004-10-06,In-Stock,2015-08-07,307.478,3.204,C19H33NO2,1,22,3,0.68,DGEA,Reference,1.0,3.0,2.0,68.0,12.0,5.03,-42.58,CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1
1029,ZINC000003922770,2005-10-19,In-Stock,2015-08-07,420.513,-1.603,C15H24N4O6S2,3,27,12,0.73,HAAA,Reference,0.0,4.0,7.0,169.0,7.0,-4.95,-87.48,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)[C@H](C)[C@H]12
1030,ZINC000003831551,2005-09-30,In-Stock,2015-08-07,163.198,-0.495,C5H9NO3S,0,10,5,0.6,ABEA,Reference,-1.0,2.0,4.0,69.0,3.0,1.38,-39.96,C[C@@H](S)C(=O)NCC(=O)O
1031,ZINC000000057532,2004-07-23,In-Stock,2015-08-07,284.359,2.206,C17H20N2O2,2,21,4,0.29,CEAA,Reference,0.0,1.0,3.0,53.0,6.0,5.51,-11.87,CCN(Cc1ccncc1)C(=O)[C@@H](CO)c1ccccc1
1032,ZINC000150338699,2015-08-08,In-Stock,2015-08-08,718.807,6.719,C41H42N4O8,6,53,12,0.32,KKBA,Reference,-1.0,2.0,10.0,176.0,9.0,19.55,-67.96,C=Cc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CCC(=O)O)c(CCC(=O)OC)c4C)[C@@]1(C)C3=CC=C(C(=O)OC)[C@H]1C(=O)OC
1033,ZINC000003808779,2005-09-27,In-Stock,2015-08-07,383.47,-0.308,C17H25N3O5S,3,26,9,0.71,GBAA,Reference,0.0,2.0,6.0,117.0,5.0,0.65,-86.75,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12
1034,ZINC000095564694,2014-01-03,In-Stock,2016-03-01,651.794,1.864,C34H53NO11,5,46,12,0.76,KDEA,Reference,1.0,3.0,11.0,127.0,24.0,5.96,-54.05,C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](OCCOCCOCCOCCOCCOCCOCCOC)CC[C@@]3(O)[C@H]1C5
1035,ZINC000004655029,2005-12-21,In-Stock,2015-08-07,555.516,7.131,C32H31BrN2O2,5,37,5,0.22,KKAA,Reference,1.0,2.0,3.0,46.0,8.0,14.25,-37.1,COc1nc2ccc(Br)cc2cc1[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)c1cccc2ccccc12
1036,ZINC000004474443,2005-12-03,In-Stock,2015-08-07,389.433,0.707,C18H19N3O5S,3,27,9,0.28,GCAA,Reference,-1.0,3.0,7.0,135.0,5.0,2.59,-60.35,C/C=C\C1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1
1037,ZINC000053045055,2010-11-16,In-Stock,2015-08-07,303.833,4.195,C18H22ClNO,2,21,3,0.33,DIGA,,,,,,,,,C[C@H](COc1ccccc1)N(CCCl)Cc1ccccc1
1038,ZINC000003976838,2005-10-28,In-Stock,2015-08-07,485.947,4.39,C24H25ClFN5O3,4,34,10,0.29,JIAA,Reference,1.0,3.0,6.0,89.0,8.0,10.83,-49.19,CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1
1039,ZINC000000538564,2005-09-27,In-Stock,2015-08-07,430.379,2.88,C18H14F4N2O4S,2,29,11,0.22,IFEA,Reference,0.0,2.0,5.0,107.0,5.0,4.0,-17.16,C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
1040,ZINC000003801919,2005-09-26,In-Stock,2015-08-07,249.096,-1.273,C4H13NO7P2,0,14,10,1.0,BAAA,High pH (8.4),-3.0,2.0,7.0,174.0,5.0,-5.29,-332.59,NCCCC(O)(P(=O)(O)O)P(=O)(O)O
1041,ZINC000002539484,2004-10-27,In-Stock,2015-08-07,156.056,1.396,C5H11Cl2N,0,8,3,1.0,ADGA,,,,,,,,,CN(CCCl)CCCl
1042,ZINC000013973998,2008-07-01,In-Stock,2015-08-07,329.393,2.683,C16H27NO6,1,23,7,0.81,EFAA,Reference,-1.0,1.0,6.0,104.0,7.0,8.0,-49.92,CC(C)C(=O)O[C@H](C)OC(=O)NCC1(CC(=O)O)CCCCC1
1043,ZINC000004474414,2005-12-03,In-Stock,2015-08-07,400.647,6.734,C27H44O2,3,29,2,0.78,HKEA,Reference,0.0,2.0,2.0,40.0,6.0,10.24,-3.99,C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O
1044,ZINC000030726187,2009-04-01,In-Stock,2015-08-07,334.332,-1.651,C15H18N4O5,4,24,9,0.53,EAEA,,,,,,,,,CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@@H]12
1045,ZINC000043450324,2010-05-14,In-Stock,2015-08-07,545.629,2.581,C29H39NO9,5,39,10,0.66,KFAA,Reference,1.0,3.0,9.0,125.0,9.0,8.13,-50.87,COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@@H]13)OCO4
1046,ZINC000095452610,2013-09-17,In-Stock,2015-08-08,253.737,1.809,C11H16ClN5,1,17,6,0.27,CDEA,Reference,2.0,5.0,0.0,87.0,2.0,8.39,-102.52,CC(C)NC(=N)N/C(N)=N\c1ccc(Cl)cc1
1047,ZINC000100052681,2015-08-08,Annotated,2016-03-05,478.629,4.883,C30H38O5,3,35,5,0.53,JJEF,,,,,,,,,CC#CC[C@@H](C)[C@@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@H]2C/C(=C/CCCC(=O)OCC(=O)c3ccccc3)C[C@H]21
1048,ZINC000000155905,2005-09-30,In-Stock,2015-08-07,163.198,-0.495,C5H9NO3S,0,10,5,0.6,ABEA,Reference,-1.0,2.0,4.0,69.0,3.0,1.39,-39.93,C[C@H](S)C(=O)NCC(=O)O
1049,ZINC000085537011,2013-02-19,In-Stock,2016-03-01,745.995,5.878,C42H67NO10,6,53,11,0.86,KKEA,,,,,,,,,CC[C@H]1CCC[C@H](O[C@H]2CC[C@H](N(C)C)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@H]3[C@@H]4C[C@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@H]4C(C)=C[C@H]3[C@@H]2CC(=O)O1
1050,ZINC000100001918,2015-08-08,In-Stock,2015-08-08,371.393,2.582,C19H21N3O5,3,27,8,0.37,FFAA,Reference,0.0,1.0,8.0,103.0,4.0,9.14,-18.43,COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)C)[C@@H]1c1cccc2nonc12
1051,ZINC000008143864,2006-07-01,In-Stock,2015-08-07,807.114,-2.016,C18H24I3N3O9,1,33,15,0.5,KAAA,,,,,,,,,O=C(NC[C@H](O)CO)c1c(I)c(C(=O)NC[C@H](O)CO)c(I)c(N(CCO)C(=O)CO)c1I
1052,ZINC000002019953,2004-10-10,In-Stock,2015-08-07,284.381,2.17,C13H20N2O3S,1,19,6,0.54,CEAA,Reference,1.0,2.0,4.0,72.0,6.0,5.63,-38.05,CCCN[C@@H](C)C(=O)Nc1c(C)csc1C(=O)OC
1053,ZINC000001543916,2004-10-06,In-Stock,2015-08-07,354.367,-1.437,C14H22N6O5,2,25,11,0.57,FAAA,Reference,1.0,4.0,9.0,172.0,8.0,1.89,-58.32,CC(C)[C@H](N)C(=O)OC[C@@H](CO)OCn1cnc2c(=O)[nH]c(N)nc21
1054,ZINC000004097383,2005-11-07,In-Stock,2015-08-07,572.875,6.111,C35H60N2O4+2,6,41,6,0.94,KKBA,Reference,2.0,0.0,4.0,52.0,4.0,19.64,-81.63,CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1[N+]1(C)CCCCC1
1055,ZINC000019632668,2008-11-05,In-Stock,2015-08-07,378.516,3.173,C24H30N2O2,4,28,4,0.46,GGAA,Reference,0.0,0.0,3.0,32.0,6.0,8.95,-11.23,CCN1C[C@@H](CCN2CCOCC2)C(c2ccccc2)(c2ccccc2)C1=O
1056,ZINC000011726211,2008-03-05,In-Stock,2015-08-07,307.397,2.779,C19H21N3O,4,23,4,0.37,DFCA,Reference,0.0,0.0,4.0,38.0,1.0,8.22,-10.42,CN1CCC(=C2c3ccccc3CCn3c(C=O)cnc32)CC1
1057,ZINC000002032615,2004-10-11,In-Stock,2015-08-07,391.294,6.113,C21H20Cl2O3,3,26,5,0.29,GKAA,Reference,0.0,0.0,3.0,35.0,6.0,13.92,-7.31,CC1(C)[C@@H](C(=O)OCc2cccc(Oc3ccccc3)c2)[C@@H]1C=C(Cl)Cl
1058,ZINC000000538266,2005-09-27,In-Stock,2016-02-17,386.801,5.026,C17H11ClF4N2S,3,25,8,0.18,GKAB,Reference,0.0,0.0,2.0,15.0,2.0,9.44,-11.41,Fc1ccccc1C1=NCC(=S)N(CC(F)(F)F)c2ccc(Cl)cc21
1059,ZINC000084400879,2013-01-31,In-Stock,2015-08-08,479.533,3.678,C26H29N3O6,3,35,9,0.31,JHBA,Reference,1.0,2.0,7.0,112.0,9.0,15.4,-43.01,COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN(C)Cc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1
1060,ZINC000003830946,2005-09-30,Annotated,2019-08-16,821.141,-1.627,C19H26I3N3O9,1,34,15,0.53,KAAF,,,,,,,,,CC(=O)N(C[C@@H](O)CO)c1c(I)c(C(=O)NC[C@H](O)CO)c(I)c(C(=O)NC[C@@H](O)CO)c1I
1061,ZINC000004474603,2005-12-03,In-Stock,2015-08-07,302.458,5.993,C20H30O2,0,22,2,0.45,DKAA,Reference,-1.0,0.0,2.0,40.0,13.0,14.61,-44.22,CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
1062,ZINC000053022902,2010-11-16,In-Stock,2015-08-07,182.17,-0.227,C6H12F2N2O2,0,12,6,0.83,ABAA,Reference,1.0,2.0,3.0,93.0,5.0,-0.11,-77.93,NCCC[C@@](N)(C(=O)O)C(F)F
1063,ZINC000031274852,2009-04-09,In-Stock,2015-08-07,348.446,4.015,C22H24N2O2,3,26,4,0.27,EIAB,Reference,0.0,1.0,3.0,57.0,6.0,13.73,-54.24,Cc1ccc(/C(=C/CN2CCCC2)c2cccc(/C=C/C(=O)O)n2)cc1
1064,ZINC000003938652,2005-10-21,In-Stock,2015-08-07,488.577,3.699,C27H36O8,4,35,8,0.7,JHEB,Reference,0.0,1.0,8.0,116.0,6.0,12.16,-17.94,CCOC(=O)O[C@]1(C(=O)COC(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
1065,ZINC000000005151,2005-09-26,In-Stock,2015-08-07,315.482,4.266,C19H25NOS,3,22,3,0.47,DIAA,Reference,1.0,2.0,2.0,24.0,6.0,9.9,-42.54,CCCN(CCc1cccs1)[C@@H]1CCc2c(O)cccc2C1
1066,ZINC000000000353,2004-07-23,In-Stock,2015-08-07,198.218,0.427,C10H14O4,1,14,4,0.4,ACAA,Reference,0.0,2.0,4.0,58.0,5.0,-0.62,-12.06,COc1ccccc1OC[C@H](O)CO
1067,ZINC000001850377,2004-10-09,In-Stock,2015-08-07,391.294,6.113,C21H20Cl2O3,3,26,5,0.29,GKAA,Reference,0.0,0.0,3.0,35.0,6.0,13.85,-6.63,CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)OCc1cccc(Oc2ccccc2)c1
1068,ZINC000002016258,2004-10-10,In-Stock,2015-08-07,277.408,4.126,C17H27NO2,1,20,3,0.59,CIAA,Reference,0.0,0.0,3.0,29.0,8.0,10.73,-6.19,CCCC[C@H](CC)COC(=O)c1ccc(N(C)C)cc1
1069,ZINC000008437287,2006-07-15,In-Stock,2015-08-07,230.392,3.916,C14H30O2,0,16,2,1.0,BHEA,Reference,0.0,1.0,2.0,29.0,13.0,6.85,-4.36,CCCCCCCCCCCCOCCO
1070,ZINC000000113426,2005-10-05,In-Stock,2015-08-07,200.285,2.108,C13H16N2,3,15,2,0.46,BEAA,Reference,1.0,2.0,1.0,26.0,1.0,6.0,-29.21,c1ccc2c(c1)CCC[C@H]2C1=NCCN1
1071,ZINC000242437511,2016-02-03,In-Stock,2016-02-16,477.603,-3.327,C21H43N5O7,3,33,12,1.0,JAAA,Reference,5.0,8.0,7.0,213.0,7.0,-6.64,-408.64,CN[C@H](C)[C@@H]1CC[C@H](N)[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O[C@@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@@H]2O)O1
1072,ZINC000000020248,2005-09-27,In-Stock,2015-08-07,314.86,4.528,C19H23ClN2,3,22,3,0.37,DJAA,Reference,1.0,1.0,1.0,7.0,4.0,13.0,-36.15,CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21
1073,ZINC000000001145,2004-07-23,In-Stock,2015-08-07,207.273,2.442,C12H17NO2,2,15,3,0.58,BEAA,Reference,-1.0,0.0,3.0,45.0,1.0,7.29,-56.98,Cc1cc(C2CCCCC2)n(O)c(=O)c1
1074,ZINC000169621230,2015-08-08,Annotated,2015-08-08,958.24,6.197,C53H83NO14,4,68,15,0.75,KKAF,,,,,,,,,CO[C@H]1C[C@H]2CC[C@H](C)[C@](O)(O2)C(=O)C(=O)N2CCCC[C@@H]2C(=O)O[C@H]([C@@H](C)C[C@@H]2CC[C@@H](OCCO)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@@H](C)C[C@@H](C)/C=C/C=C/C=C/1C
1075,ZINC000001481910,2005-09-30,In-Stock,2015-08-07,155.285,2.565,C10H21N,1,11,1,1.0,AFAA,Reference,1.0,1.0,0.0,16.0,3.0,5.9,-35.46,CN[C@@H](C)CC1CCCCC1
1076,ZINC000095617678,2014-01-17,Annotated,2015-08-08,810.466,5.719,C43H68ClNO11,4,56,13,0.81,KKGF,,,,,,,,,CC[C@@H]1/C=C(/C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC
1077,ZINC000000403079,2005-09-30,In-Stock,2015-08-07,254.286,-0.188,C12H18N2O4,1,18,6,0.42,CBAA,Reference,1.0,3.0,4.0,95.0,6.0,-2.6,-48.2,COc1ccc(OC)c([C@@H](O)CNC(=O)CN)c1
1078,ZINC000085555528,2013-02-20,In-Stock,2016-03-01,810.989,3.991,C46H58N4O9,9,59,13,0.59,KHAA,Reference,2.0,5.0,10.0,156.0,7.0,16.7,-106.2,CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1
1079,ZINC000000121541,2004-07-23,In-Stock,2015-08-07,295.298,2.394,C16H13N3O3,3,22,6,0.06,CEAA,Reference,0.0,2.0,4.0,84.0,3.0,7.37,-9.25,COC(=O)/N=c1\[nH]c2ccc(C(=O)c3ccccc3)cc2[nH]1
1080,ZINC000100006770,2015-08-08,In-Stock,2015-08-08,176.124,-1.407,C6H8O6,1,12,6,0.5,AAAA,Reference,-1.0,3.0,6.0,110.0,2.0,-6.71,-42.16,O=C1O[C@H]([C@@H](O)CO)C(O)=C1O
1081,ZINC000001035331,2005-09-26,In-Stock,2015-08-07,244.207,-3.011,C8H12N4O5,2,17,9,0.62,BAAA,Reference,0.0,4.0,8.0,143.0,3.0,-8.14,-18.31,NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1
1082,ZINC000085205448,2013-02-13,In-Stock,2015-08-08,346.339,2.176,C17H18N2O6,2,25,8,0.29,EEBA,Reference,0.0,1.0,7.0,107.0,4.0,9.25,-20.77,COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-]
1083,ZINC000001547851,2004-10-06,In-Stock,2015-08-07,170.212,-0.127,C8H14N2O2,1,12,4,0.75,ABAA,Reference,0.0,1.0,2.0,63.0,3.0,1.96,-16.38,CC[C@@H](C(N)=O)N1CCCC1=O
1084,ZINC000000000607,2005-09-30,In-Stock,2015-08-07,240.35,3.165,C16H20N2,2,18,2,0.31,BGAA,Reference,1.0,1.0,1.0,17.0,5.0,9.27,-38.56,CN(C)CC[C@@H](c1ccccc1)c1ccccn1
1085,ZINC000003872277,2005-10-04,In-Stock,2015-08-07,230.676,1.873,C8H7ClN2O2S,2,14,6,0.12,BDAA,Reference,0.0,1.0,3.0,58.0,0.0,2.15,-20.51,CC1=NS(=O)(=O)c2cc(Cl)ccc2N1
1086,ZINC000000000257,2004-07-23,In-Stock,2015-08-07,295.379,1.53,C16H25NO4,1,21,5,0.56,CDAA,Reference,1.0,2.0,4.0,72.0,9.0,5.37,-44.51,COC(=O)CCc1ccc(OC[C@H](O)CNC(C)C)cc1
1087,ZINC000000008667,2005-09-29,In-Stock,2015-08-07,244.265,3.681,C15H13FO2,2,18,3,0.13,BHAA,Reference,-1.0,0.0,2.0,40.0,3.0,10.03,-44.68,C[C@@H](C(=O)O)c1ccc(-c2ccccc2)c(F)c1
1088,ZINC000001530716,2004-10-06,In-Stock,2015-08-07,299.802,2.002,C14H22ClN3O2,1,20,6,0.5,CEAA,Reference,1.0,3.0,3.0,68.0,7.0,5.3,-40.95,CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC
1089,ZINC000000001016,2004-07-23,In-Stock,2015-08-07,242.23,2.615,C14H10O4,2,18,4,0.0,BFGA,Reference,0.0,0.0,4.0,52.0,2.0,9.64,-10.42,O=C(OOC(=O)c1ccccc1)c1ccccc1
1090,ZINC000000004351,2005-09-26,In-Stock,2015-08-07,309.434,4.014,C19H19NOS,4,22,3,0.32,DIAA,Reference,0.0,0.0,3.0,20.0,0.0,8.91,-7.07,CN1CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1
1091,ZINC000003830842,2005-09-30,In-Stock,2015-08-07,414.346,3.441,C17H20F6N2O3,2,28,11,0.59,HGAA,Reference,1.0,2.0,3.0,64.0,7.0,7.54,-50.26,O=C(NC[C@@H]1CCCCN1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F
1092,ZINC000003812933,2005-09-27,In-Stock,2015-08-07,179.307,2.694,C12H21N,4,13,1,1.0,AFAA,Reference,1.0,1.0,0.0,27.0,0.0,4.76,-42.39,C[C@@]12CC3CC(N)(C1)C[C@](C)(C3)C2
1093,ZINC000000001850,2005-10-26,In-Stock,2015-08-07,337.419,3.59,C21H23NO3,3,25,4,0.29,EHAA,Reference,0.0,1.0,3.0,53.0,5.0,12.46,-62.68,CN(C)CC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21
1094,ZINC000150339323,2015-08-08,In-Stock,2015-08-08,821.141,-1.627,C19H26I3N3O9,1,34,15,0.53,KAAA,,,,,,,,,CC(=O)N(C[C@H](O)CO)c1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)NC[C@@H](O)CO)c1I
1095,ZINC000052509463,2010-11-10,In-Stock,2015-08-07,392.499,5.081,C24H28N2O3,3,29,5,0.33,GKAA,Reference,0.0,3.0,4.0,82.0,2.0,8.05,-11.44,CC(C)(C)c1cc(C(C)(C)C)c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O
1096,ZINC000000000596,2004-10-11,In-Stock,2015-08-07,285.431,3.883,C19H27NO,3,21,2,0.58,CHAB,Reference,1.0,2.0,1.0,24.0,2.0,8.3,-37.78,CC(C)=CCN1CC[C@@]2(C)c3cc(O)ccc3C[C@@H]1[C@@H]2C
1097,ZINC000000006157,2005-09-27,In-Stock,2015-08-07,249.317,2.467,C16H15N3,4,19,3,0.19,BEAA,Reference,1.0,2.0,0.0,40.0,0.0,9.23,-28.62,NC1=NC[C@@H]2c3ccccc3Cc3ccccc3N12
1098,ZINC000000000083,2004-07-23,In-Stock,2015-08-07,161.225,0.176,C7H17N2O2+,0,11,4,0.86,ACBA,Reference,1.0,1.0,2.0,52.0,3.0,2.06,-34.82,C[C@@H](C[N+](C)(C)C)OC(N)=O
1099,ZINC000096942202,2014-06-09,In-Stock,2015-08-08,384.259,3.964,C18H19Cl2NO4,2,25,7,0.33,GHAA,Reference,0.0,1.0,5.0,64.0,4.0,10.6,-14.42,CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl
1100,ZINC000000538509,2005-09-30,In-Stock,2015-08-07,388.464,2.583,C21H28N2O5,2,28,7,0.38,GFAA,Reference,1.0,2.0,5.0,70.0,10.0,7.46,-46.67,COc1cc(C(=O)NCc2ccc(OCCN(C)C)cc2)cc(OC)c1OC
1101,ZINC000000001411,2004-07-23,In-Stock,2015-08-07,164.204,2.129,C10H12O2,1,12,2,0.2,AEEA,Reference,0.0,1.0,2.0,29.0,3.0,3.62,-5.36,C=CCc1ccc(O)c(OC)c1
1102,ZINC000001530741,2004-10-06,In-Stock,2015-08-07,263.384,3.826,C19H21N,3,20,1,0.26,CHCA,Reference,1.0,1.0,0.0,16.0,3.0,10.71,-40.49,CNCCC=C1c2ccccc2CCc2ccccc21
1103,ZINC000001529425,2004-10-06,In-Stock,2015-08-07,131.175,0.59,C6H13NO2,0,9,3,0.83,ACAA,Reference,0.0,1.0,2.0,67.0,5.0,2.56,-71.16,NCCCCCC(=O)O
1104,ZINC000145808877,2015-08-08,Annotated,2015-08-08,360.429,3.675,C20H25FN2O3,2,26,6,0.35,FHAF,,,,,,,,,CNc1ccc(/C=C\c2ccc(OCCOCCOCCF)nc2)cc1
1105,ZINC000001846431,2004-10-09,In-Stock,2015-08-07,182.147,-2.402,C6H11FO5,0,12,6,0.83,AAEA,Reference,0.0,4.0,5.0,97.0,5.0,-7.59,-13.95,O=C[C@H](F)[C@@H](O)[C@H](O)[C@H](O)CO
1106,ZINC000000001554,2005-09-29,In-Stock,2015-08-07,138.122,1.09,C7H6O3,1,10,3,0.0,ADAA,Reference,-1.0,1.0,3.0,60.0,1.0,3.11,-51.33,O=C(O)c1ccccc1O
1107,ZINC000053683345,2010-11-24,In-Stock,2015-08-07,475.362,4.426,C22H24BrFN4O2,4,30,8,0.36,JIAA,Reference,1.0,2.0,5.0,60.0,6.0,13.01,-40.1,COc1cc2/c(=N\c3ccc(Br)cc3F)nc[nH]c2cc1OCC1CCN(C)CC1
1108,ZINC000003812913,2005-09-27,In-Stock,2015-08-07,382.541,3.954,C22H38O5,1,27,5,0.82,GHAA,Reference,0.0,2.0,5.0,83.0,13.0,8.23,-10.56,CCCC[C@](C)(O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC
1109,ZINC000000005560,2005-09-26,In-Stock,2015-08-07,254.285,3.106,C16H14O3,2,19,3,0.12,CGAA,Reference,-1.0,0.0,3.0,57.0,4.0,9.57,-46.04,C[C@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1
1110,ZINC000003929022,2005-10-20,In-Stock,2015-08-07,519.448,3.036,C19H30N5O10P,2,35,16,0.63,KGAA,Reference,0.0,1.0,15.0,185.0,13.0,9.77,-22.98,CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCOC(=O)OC(C)C
1111,ZINC000000968327,2004-08-06,In-Stock,2015-08-07,356.447,3.16,C19H20N2O3S,3,25,6,0.32,FGAA,Reference,-1.0,0.0,5.0,70.0,7.0,5.38,-37.7,CCc1ccc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1
1112,ZINC000003977767,2005-10-28,In-Stock,2015-08-07,466.977,4.103,C25H32ClFO5,4,32,7,0.72,JIGA,,,,,,,,,CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
1113,ZINC000001530736,2005-12-03,In-Stock,2015-08-07,331.467,1.322,C12H21N5O2S2,1,21,9,0.58,EDAA,Reference,0.0,2.0,8.0,83.0,10.0,4.92,-13.07,CN/C(=C\[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1
1114,ZINC000000057206,2005-09-30,In-Stock,2015-08-07,239.746,3.299,C13H18ClNO,1,16,3,0.46,BGAA,Reference,1.0,1.0,1.0,33.0,3.0,7.01,-38.77,C[C@@H](NC(C)(C)C)C(=O)c1cccc(Cl)c1
1115,ZINC000000113410,2005-09-30,In-Stock,2015-08-07,274.795,3.819,C16H19ClN2,2,19,3,0.31,CHAA,Reference,1.0,1.0,1.0,17.0,5.0,9.73,-41.58,CN(C)CC[C@H](c1ccc(Cl)cc1)c1ccccn1
1116,ZINC000022016981,2008-12-11,In-Stock,2015-08-07,404.464,-2.157,C17H32N4O7,1,28,11,0.82,HAAB,Reference,-1.0,3.0,9.0,155.0,8.0,1.89,-92.93,C[C@H](O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1
1117,ZINC000000897222,2005-09-27,In-Stock,2015-08-07,421.422,1.625,C15H14F3N3O4S2,3,27,12,0.2,HDAA,Reference,0.0,3.0,5.0,118.0,3.0,-0.36,-17.65,NS(=O)(=O)c1cc2c(cc1C(F)(F)F)N[C@H](Cc1ccccc1)NS2(=O)=O
1118,ZINC000003873295,2005-10-04,In-Stock,2015-08-07,429.134,6.118,C18H13Cl4N3O,3,26,8,0.11,IKEA,Reference,0.0,0.0,4.0,39.0,6.0,13.78,-10.38,Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
1119,ZINC000005819214,2006-02-15,For-Sale,2015-08-07,328.413,-0.349,C15H28N4O4,1,23,8,0.8,EBEE,Reference,0.0,5.0,4.0,153.0,7.0,3.1,-61.69,CCC(CC)[C@@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)O)C[C@H]1N=C(N)N
1120,ZINC000004640636,2005-12-16,In-Stock,2015-08-07,170.237,1.385,C7H10N2OS,1,11,4,0.43,ADAA,Reference,0.0,2.0,2.0,48.0,2.0,3.46,-11.45,CCCc1cc(=O)[nH]c(=S)[nH]1
1121,ZINC000003802417,2005-09-26,In-Stock,2015-08-07,424.541,3.051,C25H32N2O4,3,31,6,0.44,HGAA,Reference,0.0,3.0,4.0,93.0,8.0,10.03,-69.89,C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(=O)O)CC[C@@]1(C)c1cccc(O)c1
1122,ZINC000019702309,2008-11-06,In-Stock,2015-08-07,253.718,1.525,C9H8ClN5S,3,16,7,0.22,CDEA,Reference,1.0,3.0,5.0,63.0,1.0,4.32,-26.34,Clc1ccc2nsnc2c1N=C1NCCN1
1123,ZINC000003812944,2005-09-27,In-Stock,2015-08-07,276.214,3.208,C11H11F3N2O3,1,19,8,0.36,CGBA,Reference,0.0,1.0,3.0,72.0,3.0,6.27,-10.99,CC(C)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1
1124,ZINC000013682481,2008-06-23,In-Stock,2015-08-07,447.89,4.281,C23H23ClFNO5,3,31,8,0.3,IIAA,Reference,-1.0,1.0,6.0,91.0,7.0,11.26,-83.94,COc1cc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C
1125,ZINC000001530761,2004-10-06,In-Stock,2015-08-07,368.497,4.731,C23H30NO3+,3,27,4,0.43,FJBA,Reference,1.0,0.0,3.0,35.0,6.0,13.49,-39.04,CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C
1126,ZINC000022010382,2008-12-11,In-Stock,2015-08-07,191.274,2.078,C12H17NO,2,14,2,0.5,AEAB,Reference,0.0,0.0,2.0,12.0,1.0,3.89,-2.87,C[C@@H]1[C@H](c2ccccc2)OCCN1C
1127,ZINC000002005550,2004-10-10,In-Stock,2015-08-07,238.287,1.351,C12H18N2O3,1,17,5,0.58,BDEA,Reference,0.0,2.0,3.0,75.0,5.0,1.82,-4.95,C=CCC1([C@@H](C)CCC)C(=O)NC(=O)NC1=O
1128,ZINC000000538483,2005-09-27,In-Stock,2015-08-07,371.872,2.362,C19H22ClN5O,4,26,7,0.37,FEAA,Reference,0.0,0.0,6.0,45.0,5.0,8.36,-12.91,O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12
1129,ZINC000003816287,2005-09-29,In-Stock,2015-08-07,386.48,4.639,C22H18N4OS,4,28,6,0.05,GJAA,Reference,0.0,2.0,4.0,70.0,5.0,8.96,-14.32,CNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1
1130,ZINC000164528615,2015-08-08,In-Stock,2018-04-10,838.878,3.857,C38H46F4N6O9S,7,58,20,0.63,KHAA,Reference,-1.0,2.0,11.0,197.0,6.0,7.85,-74.33,CC(C)(C)[C@@H]1NC(=O)O[C@@H]2CCC[C@H]2OC/C=C/C(F)(F)c2nc3ccccc3nc2O[C@@H]2C[C@@H](C(=O)N[C@]3(C(=O)NS(=O)(=O)C4(C)CC4)C[C@H]3C(F)F)N(C2)C1=O
1131,ZINC000000001132,2004-07-23,In-Stock,2015-08-07,156.612,2.662,C8H9ClO,1,10,2,0.25,AFAA,Reference,0.0,1.0,1.0,20.0,0.0,3.32,-3.55,Cc1cc(O)cc(C)c1Cl
1132,ZINC000000895032,2004-11-09,In-Stock,2015-08-07,133.103,-1.127,C4H7NO4,0,9,5,0.5,AAAA,Reference,-1.0,1.0,4.0,107.0,3.0,1.0,-52.88,N[C@@H](CC(=O)O)C(=O)O
1133,ZINC000000000373,2005-09-30,In-Stock,2015-08-07,151.209,1.282,C9H13NO,1,11,2,0.33,ADAA,Reference,1.0,2.0,1.0,47.0,2.0,1.16,-43.33,C[C@@H](N)Cc1ccc(O)cc1
1134,ZINC000003781943,2005-09-26,In-Stock,2015-08-07,424.497,2.573,C24H28N2O5,3,31,7,0.38,HFAA,Reference,-1.0,1.0,6.0,98.0,9.0,12.38,-54.96,CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O
1135,ZINC000049036447,2010-09-23,In-Stock,2015-08-07,450.93,4.111,C23H23ClN6O2,5,32,9,0.3,JIAA,Reference,0.0,0.0,7.0,80.0,3.0,7.82,-19.17,Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3nc4cc(Cl)ccc4o3)CC[C@H]2C)c1
1136,ZINC000003936683,2005-10-20,In-Stock,2015-08-07,362.473,3.865,C23H26N2O2,6,27,4,0.43,FHAA,Reference,1.0,1.0,2.0,33.0,2.0,12.68,-39.29,O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1c1ccccc1
1137,ZINC000003943279,2005-10-21,In-Stock,2015-08-07,627.746,5.603,C34H41N7O5,4,46,12,0.35,KKEA,Reference,0.0,2.0,9.0,154.0,15.0,13.68,-24.94,CCCCCCOC(=O)/N=C(\N)c1ccc(NCc2nc3cc(C(=O)N(CCC(=O)OCC)c4ccccn4)ccc3n2C)cc1
1138,ZINC000001543873,2004-10-06,In-Stock,2015-08-07,264.325,2.471,C14H20N2O3,1,19,5,0.43,CEEA,Reference,0.0,3.0,3.0,78.0,8.0,4.42,-18.94,O=C(CCCCCCC(=O)Nc1ccccc1)NO
1139,ZINC000043202140,2010-05-09,In-Stock,2015-08-07,588.282,3.573,C19H20Br2N6O4S,3,32,13,0.26,KHAA,Reference,0.0,2.0,8.0,128.0,11.0,3.26,-13.83,CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1
1140,ZINC000003079336,2004-11-06,In-Stock,2015-08-07,146.21,0.256,C7H16NO2+,0,10,3,0.86,ACBA,Reference,1.0,0.0,2.0,26.0,3.0,6.42,-34.24,CC(=O)OCC[N+](C)(C)C
1141,ZINC000018099446,2008-10-01,In-Stock,2015-08-07,182.187,0.069,C6H10N6O,1,13,7,0.33,ACCB,Reference,0.0,2.0,4.0,99.0,3.0,-0.82,-19.44,CN(C)/N=N\c1[nH]cnc1C(N)=O
1142,ZINC000001532526,2004-10-06,In-Stock,2015-08-07,146.146,-1.336,C5H10N2O3,0,10,5,0.6,AAAA,Reference,0.0,2.0,3.0,110.0,4.0,-2.15,-51.05,NC(=O)CC[C@H](N)C(=O)O
1143,ZINC000006920384,2006-05-02,In-Stock,2015-08-07,326.609,7.801,C22H46O,0,23,1,1.0,EKEA,Reference,0.0,1.0,1.0,20.0,20.0,14.4,-2.06,CCCCCCCCCCCCCCCCCCCCCCO
1144,ZINC000000897408,2004-07-28,In-Stock,2015-08-07,430.379,2.88,C18H14F4N2O4S,2,29,11,0.22,IFEA,Reference,0.0,2.0,5.0,107.0,5.0,3.99,-16.83,C[C@@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
1145,ZINC000000968274,2004-08-06,In-Stock,2015-08-07,301.474,4.331,C20H31NO,3,22,2,0.7,DIAA,Reference,1.0,2.0,1.0,24.0,5.0,10.28,-36.94,O[C@](CCN1CCCCC1)(c1ccccc1)C1CCCCC1
1146,ZINC000004577910,2005-12-11,In-Stock,2015-08-07,137.162,0.319,C7H9N2O+,1,10,3,0.14,ACEA,Reference,0.0,0.0,2.0,39.0,1.0,3.84,-33.43,C[n+]1ccccc1/C=N/O
1147,ZINC000003875357,2005-10-05,In-Stock,2015-08-07,358.434,1.766,C21H26O5,4,26,5,0.67,FDEA,Reference,0.0,2.0,5.0,91.0,2.0,4.55,-15.95,C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO
1148,ZINC000004340269,2005-11-21,In-Stock,2015-08-07,229.631,-1.292,C6H8ClN7O,1,15,9,0.0,BAEA,Reference,0.0,4.0,5.0,159.0,1.0,-3.4,-10.98,NC(N)=NC(=O)c1nc(Cl)c(N)nc1N
1149,ZINC000003874950,2005-10-05,In-Stock,2015-08-07,238.287,1.351,C12H18N2O3,1,17,5,0.58,BDEA,Reference,0.0,2.0,3.0,75.0,5.0,1.8,-4.99,C=CCC1([C@H](C)CCC)C(=O)NC(=O)NC1=O
1150,ZINC000000896560,2004-07-28,In-Stock,2015-08-07,312.417,2.318,C18H24N4O,4,23,5,0.56,DEAA,,,,,,,,,CN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1nn(C)c3ccccc13)C2
1151,ZINC000003780893,2005-09-26,In-Stock,2015-08-07,418.574,4.586,C25H38O5,3,30,5,0.76,HJAA,Reference,0.0,1.0,5.0,72.0,6.0,11.41,-13.2,CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21
1152,ZINC000012484958,2008-05-16,In-Stock,2015-08-07,300.442,5.603,C20H28O2,1,22,2,0.45,DKAB,Reference,-1.0,0.0,2.0,40.0,5.0,10.74,-54.63,CC1=C(/C=C\C(C)=C/C=C\C(C)=C/C(=O)O)C(C)(C)CCC1
1153,ZINC000003964126,2005-10-25,In-Stock,2015-08-07,435.889,2.52,C19H18ClN3O5S,4,29,10,0.32,IFAA,Reference,0.0,1.0,6.0,88.0,5.0,5.82,-22.73,O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)s1
1154,ZINC000003794794,2005-09-26,In-Stock,2015-08-07,444.488,-0.139,C22H28N4O6,3,32,10,0.36,IBCA,Reference,2.0,8.0,8.0,172.0,12.0,-2.64,-97.91,O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21
1155,ZINC000253476027,2016-02-05,In-Stock,2016-02-27,332.464,2.854,C20H30NO3+,3,24,4,0.65,EFBA,Reference,1.0,1.0,3.0,46.0,5.0,9.36,-34.69,CC(C)[N@+]1(C)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@@H](CO)c1ccccc1)C2
1156,ZINC000000001958,2004-07-23,In-Stock,2015-08-07,185.226,2.146,C12H11NO,2,14,2,0.08,AEAA,Reference,0.0,0.0,2.0,22.0,1.0,7.34,-11.28,Cc1ccc(=O)n(-c2ccccc2)c1
1157,ZINC000253498282,2016-02-13,In-Stock,2016-02-27,312.453,3.883,C21H28O2,4,23,2,0.76,DHEA,Reference,0.0,1.0,2.0,37.0,1.0,8.3,-9.41,C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]21CC
1158,ZINC000004097225,2005-11-07,In-Stock,2015-08-07,299.352,-0.176,C12H17N3O4S,2,20,8,0.58,CBAA,Reference,0.0,3.0,5.0,118.0,7.0,-0.37,-86.26,C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNC=N)C[C@H]12
1159,ZINC000087496092,2013-03-20,In-Stock,2016-03-01,645.608,-8.565,C25H43NO18,4,44,19,0.92,KAAB,,,,,,,,,C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@H](O)[C@H](O)[C@H]1O
1160,ZINC000000001688,2005-10-03,In-Stock,2015-08-07,153.137,0.673,C7H7NO3,1,11,4,0.0,ACAA,Reference,-1.0,2.0,4.0,86.0,1.0,0.97,-52.31,Nc1ccc(O)c(C(=O)O)c1
1161,ZINC000000057512,2004-07-23,In-Stock,2015-08-07,311.407,1.978,C14H21N3O3S,2,21,7,0.5,DDEA,Reference,-1.0,1.0,4.0,84.0,2.0,3.88,-59.44,Cc1ccc(S(=O)(=O)/N=C(\O)NN2CCCCCC2)cc1
1162,ZINC000003972949,2005-10-28,For-Sale,2016-03-01,431.289,3.76,C18H23FINO2,3,23,5,0.61,IHAE,Reference,1.0,1.0,2.0,30.0,5.0,11.82,-38.96,COC(=O)[C@H]1[C@@H](c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2CCCF
1163,ZINC000006845963,2006-04-27,In-Stock,2015-08-07,304.542,6.455,C21H38N+,1,22,1,0.76,DKEA,Reference,1.0,0.0,0.0,3.0,15.0,16.54,-27.66,CCCCCCCCCCCCCCCC[n+]1ccccc1
1164,ZINC000000020244,2004-07-23,In-Stock,2015-08-07,255.361,3.354,C17H21NO,2,19,2,0.29,CGAA,Reference,1.0,1.0,1.0,13.0,6.0,10.53,-34.18,CN(C)CCOC(c1ccccc1)c1ccccc1
1165,ZINC000072267023,2012-05-14,In-Stock,2015-08-08,404.551,3.432,C23H36N2O4,3,29,6,0.7,HGEA,Reference,1.0,3.0,4.0,72.0,11.0,9.52,-45.3,CCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc2c(c1)OCCO2
1166,ZINC000013912394,2008-06-29,In-Stock,2015-08-07,452.538,4.683,C25H34F2O5,2,32,7,0.56,JJAA,Reference,0.0,2.0,5.0,75.0,12.0,9.84,-10.52,CC(C)OC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/C(F)(F)COc1ccccc1
1167,ZINC000013911941,2008-06-29,In-Stock,2015-08-07,416.646,5.561,C27H44O3,3,30,3,0.78,HKAA,Reference,0.0,3.0,3.0,60.0,5.0,7.02,-5.47,C[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C)C(C)(C)O
1168,ZINC000000056568,2004-07-23,In-Stock,2015-08-07,164.204,2.094,C10H12O2,1,12,2,0.3,AEAA,Reference,-1.0,0.0,2.0,40.0,4.0,7.42,-45.24,O=C(O)CCCc1ccccc1
1169,ZINC000095619105,2014-01-17,In-Stock,2015-08-08,339.439,1.925,C20H25N3O2,4,25,5,0.45,EDAA,Reference,1.0,4.0,2.0,69.0,4.0,5.77,-35.53,CC[C@@H](CO)NC(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
1170,ZINC000000895360,2005-10-03,In-Stock,2015-08-07,115.132,-0.177,C5H9NO2,1,8,3,0.8,ABAA,Reference,0.0,1.0,2.0,56.0,1.0,2.42,-35.47,O=C(O)[C@@H]1CCCN1
1171,ZINC000000000922,2005-09-30,In-Stock,2015-08-07,153.137,0.673,C7H7NO3,1,11,4,0.0,ACAA,Reference,-1.0,2.0,4.0,86.0,1.0,0.99,-53.37,Nc1ccc(C(=O)O)c(O)c1
1172,ZINC000019796158,2008-11-10,In-Stock,2015-08-07,327.815,3.771,C18H18ClN3O,4,23,5,0.28,EHAA,Reference,0.0,0.0,4.0,28.0,0.0,7.91,-8.24,CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1
1173,ZINC000019632633,2008-11-05,In-Stock,2015-08-07,187.286,2.183,C13H17N,1,14,1,0.38,AEEA,Reference,1.0,1.0,0.0,4.0,4.0,8.79,-35.06,C#CCN(C)[C@H](C)Cc1ccccc1
1174,ZINC000000000471,2004-07-23,In-Stock,2015-08-07,221.256,1.791,C12H15NO3,2,16,4,0.42,BDAA,Reference,0.0,1.0,3.0,47.0,3.0,3.23,-14.78,Cc1cc(C)cc(OC[C@H]2CNC(=O)O2)c1
1175,ZINC000000002159,2004-07-23,In-Stock,2015-08-07,242.231,-1.514,C10H14N2O5,2,17,7,0.6,BAAA,Reference,0.0,3.0,6.0,104.0,2.0,-4.51,-11.25,Cc1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]c1=O
1176,ZINC000000896409,2005-09-30,In-Stock,2015-08-07,149.19,-1.735,C6H15NO3,0,10,4,1.0,AAAA,Reference,1.0,4.0,3.0,65.0,6.0,-4.89,-31.93,OCCN(CCO)CCO
1177,ZINC000003861768,2005-10-03,In-Stock,2015-08-07,244.207,-3.168,C8H12N4O5,2,17,9,0.62,BAAA,Reference,0.0,4.0,9.0,143.0,2.0,-6.36,-25.41,Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1
1178,ZINC000103105084,2015-08-08,In-Stock,2016-02-24,324.38,2.519,C19H20N2O3,6,24,5,0.47,DFAA,,,,,,,,,O=C(O[C@@H]1C[C@@H]2C[C@H]3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12
1179,ZINC000038140873,2010-01-04,In-Stock,2015-08-07,167.296,2.421,C11H21N,2,12,1,1.0,AEAB,Reference,1.0,1.0,0.0,16.0,1.0,5.77,-32.33,CN[C@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C
1180,ZINC000000010164,2005-09-30,In-Stock,2015-08-07,199.319,1.56,C10H17NOS,4,13,3,1.0,ADAA,Reference,1.0,1.0,2.0,13.0,0.0,5.48,-39.04,C[C@H]1O[C@@]2(CS1)CN1CCC2CC1
1181,ZINC000019144231,2008-10-24,In-Stock,2015-08-07,319.88,4.811,C18H26ClN3,2,22,4,0.5,DJAA,Reference,1.0,2.0,2.0,29.0,8.0,10.13,-41.84,CCN(CC)CCC[C@H](C)Nc1ccnc2cc(Cl)ccc12
1182,ZINC000306122005,2016-03-22,In-Stock,2016-03-22,540.708,1.43,C24H36N4O6S2,2,36,12,0.62,KDGA,Reference,0.0,4.0,8.0,142.0,2.0,7.21,-10.45,C/C=C1/NC(=O)[C@H]2CSSCCC=C[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@H](C(C)C)NC1=O
1183,ZINC000004618208,2005-12-14,In-Stock,2015-08-07,359.451,2.989,C18H21N3O3S,3,25,7,0.33,FFAA,Reference,0.0,1.0,5.0,77.0,8.0,4.5,-22.05,COCCCOc1ccnc(C[S@@](=O)c2nc3ccccc3[nH]2)c1C
1184,ZINC000030691760,2009-04-01,In-Stock,2015-08-07,456.322,4.245,C21H23Cl2NO6,2,30,9,0.38,JIAA,Reference,0.0,1.0,7.0,90.0,7.0,12.61,-16.25,CCCC(=O)OCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl
1185,ZINC000004102194,2005-11-07,In-Stock,2015-08-07,500.629,2.593,C26H44O9,2,35,9,0.85,KFAA,Reference,-1.0,3.0,9.0,148.0,16.0,5.84,-58.02,C/C(=C\C(=O)OCCCCCCCCC(=O)O)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O
1186,ZINC000019364230,2008-10-31,In-Stock,2015-08-07,388.895,3.148,C21H25ClN2O3,3,27,6,0.38,GGAA,Reference,-1.0,0.0,5.0,55.0,8.0,9.37,-50.13,O=C(O)COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1
1187,ZINC000004658553,2005-12-22,In-Stock,2015-08-07,89.094,-0.582,C3H7NO2,0,6,3,0.67,ABAA,Reference,0.0,1.0,2.0,67.0,1.0,0.21,-39.41,C[C@H](N)C(=O)O
1188,ZINC000009164421,2007-08-12,In-Stock,2018-05-18,667.711,-2.569,C23H31N12O8S2+,4,45,22,0.43,KAEB,Reference,0.0,6.0,16.0,306.0,12.0,2.79,-155.54,Cn1c(N)c(NC(=O)NCCN)c[n+]1CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c3nsc(N)n3)[C@H]2SC1
1189,ZINC000003830264,2005-09-30,In-Stock,2015-08-07,435.44,-1.172,C13H17N5O8S2,2,28,15,0.46,IAEA,Reference,-2.0,2.0,12.0,207.0,7.0,0.28,-114.59,C[C@H]1[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O
1190,ZINC000060325170,2011-03-18,In-Stock,2015-08-08,531.316,3.781,C21H21F3IN3O2,4,30,9,0.38,KHAA,Reference,1.0,3.0,3.0,69.0,4.0,7.38,-52.51,O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)([C@@H]2CCCCN2)C1
1191,ZINC000003831475,2005-09-30,In-Stock,2015-08-07,182.222,-0.248,C4H6O4S2,0,10,6,0.5,ABEA,Reference,-2.0,2.0,6.0,80.0,3.0,3.72,-95.95,O=C(O)[C@H](S)[C@H](S)C(=O)O
1192,ZINC000000085733,2005-09-30,In-Stock,2015-08-07,213.664,1.857,C10H12ClNO2,1,14,4,0.3,BDAA,Reference,0.0,1.0,2.0,67.0,4.0,4.83,-48.87,NC[C@@H](CC(=O)O)c1ccc(Cl)cc1
1193,ZINC000003830321,2005-09-30,In-Stock,2015-08-07,361.397,4.112,C22H19NO4,3,27,5,0.14,FIAA,Reference,0.0,0.0,5.0,65.0,5.0,12.37,-13.87,CC(=O)Oc1ccc(C(c2ccc(OC(C)=O)cc2)c2ccccn2)cc1
1194,ZINC000001530599,2004-10-06,In-Stock,2015-08-07,276.745,1.942,C10H13ClN2O3S,1,17,7,0.3,CDEA,Reference,-1.0,1.0,3.0,81.0,3.0,1.88,-52.39,CCCN/C(O)=N/S(=O)(=O)c1ccc(Cl)cc1
1195,ZINC000169746649,2015-08-08,In-Stock,2015-08-08,384.245,0.361,C19H25BN4O4,2,28,9,0.37,GCGA,,,,,,,,,CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O
1196,ZINC000030690433,2009-04-01,In-Stock,2015-08-07,443.638,3.471,C23H29N3O2S2,4,30,7,0.39,IGAA,Reference,1.0,1.0,4.0,45.0,5.0,8.75,-47.82,CN1CCN(CC/C=C2/c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1
1197,ZINC000001489478,2005-10-30,In-Stock,2015-08-07,407.318,2.016,C16H15F6N5O,3,28,12,0.44,HEAA,Reference,1.0,1.0,4.0,78.0,4.0,7.23,-60.6,N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F
1198,ZINC000000000575,2004-07-23,In-Stock,2015-08-07,286.718,2.448,C15H11ClN2O2,3,20,5,0.07,CEAA,Reference,0.0,2.0,3.0,61.0,1.0,1.04,-8.29,O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@H]1O
1199,ZINC000003918138,2005-10-18,In-Stock,2015-08-07,332.313,-3.576,C12H20N4O7,1,23,11,0.58,EAAA,Reference,0.0,7.0,7.0,202.0,6.0,-5.6,-62.0,CC(=O)N[C@@H]1[C@@H](NC(=N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO
1200,ZINC000001550766,2005-10-20,In-Stock,2015-08-07,378.899,5.646,C24H23ClO2,3,27,3,0.17,GKGA,,,,,,,,,OCCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1
1201,ZINC000009302201,2007-08-17,In-Stock,2015-08-07,300.442,5.603,C20H28O2,1,22,2,0.45,DKAB,Reference,-1.0,0.0,2.0,40.0,5.0,10.62,-56.04,CC1=C(/C=C\C(C)=C\C=C/C(C)=C\C(=O)O)C(C)(C)CCC1
1202,ZINC000022448097,2008-12-16,In-Stock,2016-02-28,527.527,-0.675,C23H33N3O11,1,37,14,0.52,KBAA,Reference,-4.0,1.0,13.0,220.0,20.0,9.88,-285.39,CCOc1ccc(C[C@@H](CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)cc1
1203,ZINC000000004166,2004-07-23,In-Stock,2015-08-07,272.37,1.09,C12H20N2O3S,1,18,6,0.5,CDAA,Reference,1.0,3.0,3.0,83.0,6.0,0.15,-48.91,CC(C)NC[C@@H](O)c1ccc(NS(C)(=O)=O)cc1
1204,ZINC000000538627,2005-11-15,In-Stock,2015-08-07,378.428,3.516,C22H22N2O4,3,28,6,0.23,GHAA,Reference,-1.0,0.0,6.0,84.0,7.0,8.99,-63.5,COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O
1205,ZINC000000119344,2005-09-30,In-Stock,2015-08-07,194.19,0.083,C9H10N2O3,1,14,5,0.11,ACAA,Reference,-1.0,2.0,4.0,95.0,3.0,1.51,-45.29,Nc1ccc(C(=O)NCC(=O)O)cc1
1206,ZINC000004097404,2005-11-07,In-Stock,2015-08-07,557.84,5.966,C34H57N2O4+,6,40,6,0.94,KKBA,Reference,2.0,1.0,4.0,57.0,4.0,19.47,-79.61,CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3C[C@H]([N+]3(C)CCCCC3)[C@@H]4OC(C)=O)[C@@]2(C)C[C@@H]1N1CCCCC1
1207,ZINC000038197764,2010-01-11,In-Stock,2015-08-07,375.4,1.98,C19H22FN3O4,4,27,8,0.47,GDAA,Reference,0.0,1.0,6.0,91.0,4.0,7.69,-96.55,COc1c(N2CCN[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
1208,ZINC000003830957,2005-09-30,In-Stock,2015-08-07,791.115,-0.407,C18H24I3N3O8,1,32,14,0.5,KBAA,Reference,0.0,6.0,8.0,168.0,11.0,-3.55,-18.99,COCC(=O)Nc1c(I)c(C(=O)NC[C@H](O)CO)c(I)c(C(=O)N(C)C[C@H](O)CO)c1I
1209,ZINC000013129998,2008-05-29,In-Stock,2015-08-07,351.409,1.951,C14H13N3O4S2,3,23,9,0.14,FDAA,Reference,-1.0,1.0,6.0,102.0,2.0,4.23,-57.42,Cc1cnc(NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)s1
1210,ZINC000030691679,2009-04-01,For-Sale,2018-05-25,394.895,2.736,C21H27ClO5,4,27,6,0.71,GFGE,,,,,,,,,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)OCCl
1211,ZINC000019855121,2008-11-11,In-Stock,2015-08-07,436.124,-1.869,C6H20N2O12P4,0,24,18,1.0,IAAA,,,,,,,,,O=P(O)(O)CN(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O
1212,ZINC000003831429,2005-09-30,In-Stock,2015-08-07,179.307,2.55,C12H21N,4,13,1,1.0,AFAA,Reference,1.0,1.0,0.0,27.0,1.0,5.01,-43.12,C[C@H](N)C12CC3CC(CC(C3)C1)C2
1213,ZINC000000004028,2005-09-26,In-Stock,2015-08-07,315.482,4.266,C19H25NOS,3,22,3,0.47,DIAA,Reference,1.0,2.0,2.0,24.0,6.0,9.89,-42.13,CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1
1214,ZINC000004097392,2005-11-07,In-Stock,2015-08-07,168.036,2.083,C3H2F6O,0,10,7,1.0,AEAA,Reference,0.0,0.0,1.0,9.0,2.0,2.09,-4.64,FC(F)O[C@H](F)C(F)(F)F
1215,ZINC000001532517,2004-10-06,In-Stock,2015-08-07,88.062,-0.34,C3H4O3,0,6,3,0.33,ABAA,Reference,-1.0,0.0,3.0,57.0,1.0,2.73,-41.44,CC(=O)C(=O)O
1216,ZINC000000001011,2005-10-03,In-Stock,2015-08-07,122.123,1.385,C7H6O2,1,9,2,0.0,ADAA,Reference,-1.0,0.0,2.0,40.0,1.0,5.06,-49.72,O=C(O)c1ccccc1
1217,ZINC000003938751,2005-10-21,In-Stock,2015-08-07,430.541,2.717,C25H34O6,5,31,6,0.76,IFEA,Reference,0.0,2.0,6.0,93.0,4.0,6.59,-13.34,CCC[C@@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1
1218,ZINC000003830453,2005-09-30,In-Stock,2015-08-07,427.464,-0.539,C15H17N5O6S2,3,28,13,0.4,IBEA,Reference,-1.0,2.0,11.0,159.0,7.0,3.83,-61.62,COCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OC)c3csc(N)n3)[C@H]2SC1
1219,ZINC000000901736,2005-10-04,In-Stock,2015-08-07,131.131,-1.206,C5H9NO3,1,9,4,0.8,AAAA,Reference,0.0,2.0,3.0,76.0,1.0,-1.0,-39.52,O=C(O)[C@@H]1C[C@H](O)CN1
1220,ZINC000001530654,2004-10-06,In-Stock,2015-08-07,335.879,3.783,C18H26ClN3O,2,23,5,0.5,EHAA,Reference,1.0,3.0,3.0,49.0,9.0,6.89,-42.21,CCN(CCO)CCC[C@H](C)Nc1ccnc2cc(Cl)ccc12
1221,ZINC000000025958,2005-10-28,In-Stock,2015-08-07,323.371,2.979,C19H18FN3O,4,24,5,0.21,DFAA,Reference,1.0,3.0,1.0,61.0,3.0,6.3,-53.93,CNCc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1
1222,ZINC000035342787,2009-10-06,In-Stock,2015-08-07,305.29,1.781,C14H15N3O5,1,22,8,0.29,DDGA,,,,,,,,,CCN(CC)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1
1223,ZINC000000020259,2004-07-23,In-Stock,2015-08-07,165.236,1.328,C10H15NO,1,12,2,0.4,ADAA,Reference,1.0,2.0,1.0,36.0,3.0,3.11,-36.81,CN[C@@H](C)[C@@H](O)c1ccccc1
1224,ZINC000001895505,2004-10-09,In-Stock,2015-08-07,470.613,6.331,C30H34N2O3,5,35,5,0.33,JKAA,Reference,1.0,3.0,4.0,59.0,7.0,12.08,-41.56,Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12
1225,ZINC000000596731,2005-12-14,In-Stock,2015-08-07,441.575,1.983,C19H27N3O5S2,2,29,10,0.37,IDAA,Reference,1.0,3.0,5.0,106.0,11.0,4.01,-61.93,CN(CCOc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1
1226,ZINC000002015035,2004-10-10,In-Stock,2015-08-07,213.189,-0.457,C9H11NO5,1,15,6,0.22,BBCB,Reference,-1.0,4.0,5.0,128.0,3.0,-3.94,-49.88,N[C@@H](C(=O)O)[C@@H](O)c1ccc(O)c(O)c1
1227,ZINC000000000196,2005-10-04,In-Stock,2015-08-07,291.391,2.18,C17H25NO3,2,21,4,0.59,CEAA,Reference,1.0,2.0,3.0,50.0,6.0,8.42,-41.61,CN(C)CCOC(=O)[C@H](c1ccccc1)C1(O)CCCC1
1228,ZINC000008220909,2006-07-04,In-Stock,2016-02-24,665.733,0.12,C33H47NO13,4,47,14,0.64,KCAA,Reference,0.0,6.0,13.0,235.0,3.0,1.91,-56.42,C[C@@H]1C/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)C[C@H]3O[C@@H]3/C=C/C(=O)O1)C[C@H](O)[C@H]2C(=O)O
1229,ZINC000000137884,2005-09-27,In-Stock,2015-08-07,224.216,-0.709,C10H12N2O4,2,16,6,0.4,BBAA,Reference,0.0,2.0,5.0,84.0,2.0,-0.44,-16.08,Cc1cn([C@H]2C=C[C@@H](CO)O2)c(=O)[nH]c1=O
1230,ZINC000004228258,2005-11-15,In-Stock,2015-08-07,241.251,-1.7,C9H15N5O3,2,17,8,0.56,BAAB,Reference,-1.0,6.0,7.0,136.0,2.0,-5.59,-43.75,C[C@@H](O)[C@@H](O)[C@@H]1CNc2[nH]c(N)nc(=O)c2N1
1231,ZINC000002169830,2004-10-12,In-Stock,2015-08-07,267.245,-1.98,C10H13N5O4,3,19,9,0.5,CAAA,Reference,0.0,4.0,9.0,139.0,2.0,-4.37,-15.47,Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
1232,ZINC000001530707,2004-10-06,In-Stock,2015-08-07,309.453,4.292,C21H27NO,2,23,2,0.38,DIAA,Reference,1.0,1.0,1.0,21.0,7.0,11.85,-46.03,CCC(=O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1
1233,ZINC000003812867,2005-09-27,In-Stock,2015-08-07,368.474,1.941,C19H32N2O5,2,26,7,0.84,FDAA,Reference,-1.0,1.0,6.0,98.0,8.0,8.16,-42.24,CCC[C@H](N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)OCC
1234,ZINC000001536779,2004-10-06,In-Stock,2015-08-07,297.423,4.631,C18H19NOS,3,21,3,0.22,CJAA,Reference,1.0,1.0,2.0,25.0,6.0,9.87,-42.67,CNCC[C@H](Oc1cccc2ccccc12)c1cccs1
1235,ZINC000100014475,2015-08-08,In-Stock,2015-08-08,329.23,2.735,C14H10F3NO5,2,23,9,0.36,EFBA,Reference,-1.0,0.0,5.0,100.0,2.0,8.32,-46.71,O=C1CCCC(=O)C1C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]
1236,ZINC000000895042,2005-09-30,In-Stock,2015-08-07,121.161,-0.672,C3H7NO2S,0,7,4,0.67,ABEA,Reference,0.0,2.0,3.0,67.0,2.0,0.44,-31.89,N[C@@H](CS)C(=O)O
1237,ZINC000008855117,2007-07-30,In-Stock,2015-08-07,268.229,-2.269,C10H12N4O5,3,19,9,0.5,CAAA,Reference,0.0,4.0,8.0,133.0,2.0,-4.44,-24.51,O=c1[nH]cnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
1238,ZINC000003939013,2005-10-21,In-Stock,2015-08-07,614.411,4.366,C23H22F7N4O6P,4,41,18,0.39,KIEA,Reference,-2.0,1.0,9.0,135.0,7.0,8.98,-153.94,C[C@@H](O[C@H]1OCCN(Cc2nn(P(=O)(O)O)c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
1239,ZINC000003830500,2005-09-30,In-Stock,2015-08-07,347.396,0.445,C16H17N3O4S,3,24,8,0.31,ECAA,Reference,-1.0,2.0,6.0,115.0,4.0,4.22,-59.44,CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccccc3)[C@H]2SC1
1240,ZINC000003812888,2005-09-27,In-Stock,2015-08-07,454.611,5.093,C27H38N2O4,2,33,6,0.52,JKEA,Reference,1.0,1.0,5.0,65.0,13.0,12.51,-58.52,COc1ccc(CCN(C)CCC[C@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC
1241,ZINC000001532805,2004-10-06,In-Stock,2015-08-07,104.105,-0.157,C4H8O3,0,7,3,0.75,ABAA,Reference,-1.0,1.0,3.0,60.0,3.0,0.27,-45.84,O=C(O)CCCO
1242,ZINC000022010649,2008-12-11,In-Stock,2015-08-07,349.434,3.327,C21H23N3O2,3,26,5,0.19,EGEA,Reference,1.0,4.0,2.0,81.0,7.0,7.82,-61.58,Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO)cc1
1243,ZINC000000001115,2005-09-30,In-Stock,2015-08-07,304.217,3.378,C14H19Cl2NO2,1,19,5,0.5,DGGA,Reference,-1.0,0.0,3.0,43.0,9.0,10.92,-46.32,O=C(O)CCCc1ccc(N(CCCl)CCCl)cc1
1244,ZINC000000621853,2004-07-25,In-Stock,2015-08-07,399.443,2.872,C22H25NO6,3,29,7,0.36,GFAA,Reference,0.0,1.0,6.0,83.0,5.0,7.84,-20.5,COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2
1245,ZINC000036701290,2009-11-12,In-Stock,2015-08-07,532.57,4.456,C29H27F3N6O,5,39,10,0.28,KIEA,Reference,1.0,2.0,5.0,66.0,4.0,14.31,-52.51,Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cccnn12
1246,ZINC000002019954,2004-10-10,In-Stock,2015-08-07,284.381,2.17,C13H20N2O3S,1,19,6,0.54,CEAA,Reference,1.0,2.0,4.0,72.0,6.0,5.62,-37.56,CCCN[C@H](C)C(=O)Nc1c(C)csc1C(=O)OC
1247,ZINC000008214514,2006-07-04,In-Stock,2015-08-07,60.056,-0.976,CH4N2O,0,4,3,0.0,ABAA,Reference,0.0,2.0,1.0,69.0,0.0,-4.58,-8.57,NC(N)=O
1248,ZINC000001481956,2005-09-26,In-Stock,2015-08-07,426.492,3.081,C23H27FN4O3,5,31,8,0.52,IGAA,Reference,1.0,2.0,6.0,85.0,4.0,9.12,-52.94,Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCC[C@H]2O
1249,ZINC000000897301,2004-07-28,In-Stock,2015-08-07,324.38,2.519,C19H20N2O3,6,24,5,0.47,DFAA,,,,,,,,,O=C(OC1C[C@H]2CC3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12
1250,ZINC000000897244,2005-09-30,In-Stock,2015-08-07,233.245,-0.795,C8H11NO5S,2,15,7,0.75,BBAA,Reference,-1.0,0.0,5.0,94.0,1.0,-0.92,-52.54,CC1(C)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O
1251,ZINC000000896455,2005-09-30,In-Stock,2015-08-07,319.246,3.928,C16H19BrN2,2,19,3,0.31,DHAA,Reference,1.0,1.0,1.0,17.0,5.0,9.83,-41.64,CN(C)CC[C@H](c1ccc(Br)cc1)c1ccccn1
1252,ZINC000052971887,2010-11-15,In-Stock,2015-08-07,182.17,-0.227,C6H12F2N2O2,0,12,6,0.83,ABAA,Reference,0.0,2.0,3.0,93.0,5.0,-0.36,-54.67,NCCC[C@](N)(C(=O)O)C(F)F
1253,ZINC000004175630,2005-11-14,In-Stock,2015-08-07,461.556,6.269,C28H29F2N3O,5,34,6,0.32,JKAA,Reference,1.0,2.0,2.0,42.0,7.0,15.64,-51.75,Oc1nc2ccccc2n1C1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
1254,ZINC000003795819,2005-09-26,In-Stock,2015-08-07,296.414,2.657,C19H24N2O,6,22,3,0.63,CFAA,Reference,1.0,1.0,1.0,24.0,1.0,9.5,-47.79,O=C1c2cccc3c2[C@H](CCC3)CN1[C@@H]1CN2CCC1CC2
1255,ZINC000003875560,2005-10-05,In-Stock,2015-08-07,374.477,1.804,C22H30O5,4,27,5,0.73,FDEA,Reference,0.0,3.0,5.0,94.0,2.0,3.68,-16.19,C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
1256,ZINC000004658562,2005-12-22,In-Stock,2015-08-07,90.078,-0.548,C3H6O3,0,6,3,0.67,ABAA,Reference,-1.0,1.0,3.0,60.0,1.0,0.33,-46.53,C[C@@H](O)C(=O)O
1257,ZINC000033965961,2009-08-05,In-Stock,2015-08-07,513.5,-1.099,C22H31N3O11,1,36,14,0.5,KAAB,Reference,-4.0,1.0,13.0,220.0,20.0,9.74,-279.87,O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)[C@H](COCc1ccccc1)C(=O)O
1258,ZINC000000895081,2004-11-09,In-Stock,2015-08-07,192.123,-1.248,C6H8O7,0,13,7,0.5,AAAA,Reference,-3.0,1.0,7.0,140.0,5.0,3.22,-217.99,O=C(O)CC(O)(CC(=O)O)C(=O)O
1259,ZINC000008214703,2006-07-04,In-Stock,2015-08-07,382.541,4.255,C22H38O5,1,27,5,0.82,GIEA,Reference,-1.0,2.0,5.0,97.0,15.0,9.26,-51.2,CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O
1260,ZINC000028108825,2009-02-24,For-Sale,2015-08-07,737.696,1.747,C33H44N3O14P,3,51,18,0.48,KDAE,Reference,-5.0,1.0,16.0,270.0,23.0,16.15,-439.18,O=C(O)CN(CCN(CC(=O)O)C[C@H](CO[P@](=O)(O)OC1CCC(c2ccccc2)(c2ccccc2)CC1)N(CC(=O)O)CC(=O)O)CC(=O)O
1261,ZINC000003831151,2005-09-30,In-Stock,2015-08-07,586.197,8.948,C35H36ClNO3S,5,41,6,0.31,KKAA,Reference,-1.0,1.0,5.0,73.0,12.0,19.67,-58.59,CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1
1262,ZINC000001530951,2004-10-06,In-Stock,2015-08-07,260.334,2.023,C12H24N2O4,0,18,6,0.83,CEAA,Reference,0.0,2.0,4.0,90.0,7.0,1.01,-10.34,CCC[C@](C)(COC(N)=O)COC(=O)NC(C)C
1263,ZINC000019144216,2008-10-24,In-Stock,2015-08-07,285.391,2.658,C17H23N3O,2,21,4,0.35,CFAA,Reference,1.0,1.0,3.0,29.0,7.0,9.64,-39.24,COc1ccc(CN(CCN(C)C)c2ccccn2)cc1
1264,ZINC000004097310,2005-11-07,In-Stock,2015-08-07,563.672,6.121,C30H46NO7P,3,39,9,0.7,KKAA,Reference,-1.0,0.0,7.0,113.0,14.0,18.38,-56.12,CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1C(=O)O)C(C)C
1265,ZINC000116473771,2015-08-08,In-Stock,2016-02-25,366.844,5.505,C22H19ClO3,4,26,4,0.27,FKEA,Reference,-1.0,0.0,3.0,57.0,2.0,11.54,-41.08,O=C1C(O)=C([C@H]2CC[C@@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21
1266,ZINC000000000456,2005-09-30,In-Stock,2015-08-07,246.354,2.726,C15H22N2O,2,18,3,0.53,BFAA,Reference,0.0,1.0,2.0,32.0,2.0,5.82,-7.5,Cc1cccc(C)c1NC(=O)[C@H]1CCCCN1C
1267,ZINC000019632614,2008-11-05,In-Stock,2015-08-07,446.91,4.276,C22H24ClFN4O3,4,31,9,0.36,IIAA,Reference,0.0,1.0,7.0,68.0,8.0,8.63,-13.21,COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
1268,ZINC000000002191,2005-09-27,In-Stock,2015-08-07,257.289,2.192,C15H15NO3,2,19,4,0.2,CEAA,Reference,-1.0,0.0,4.0,62.0,4.0,9.03,-47.52,Cc1ccc(C(=O)c2ccc(CC(=O)O)n2C)cc1
1269,ZINC000003819138,2005-09-29,In-Stock,2015-08-07,408.878,1.844,C21H25ClO6,3,28,7,0.43,HDAA,Reference,0.0,4.0,6.0,99.0,6.0,0.02,-10.82,CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1
1270,ZINC000000000905,2004-07-23,In-Stock,2015-08-07,210.285,0.07,C9H18N6,1,15,6,0.67,BCAA,Reference,0.0,0.0,6.0,48.0,3.0,11.37,-9.06,CN(C)c1nc(N(C)C)nc(N(C)C)n1
1271,ZINC000100001964,2015-08-08,In-Stock,2015-08-08,408.882,2.266,C20H25ClN2O5,2,28,8,0.4,HEAA,Reference,1.0,2.0,6.0,101.0,8.0,7.6,-58.17,CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1Cl
1272,ZINC000100019007,2015-08-08,In-Stock,2015-08-08,182.187,0.069,C6H10N6O,1,13,7,0.33,ACCA,Reference,0.0,2.0,4.0,99.0,3.0,-0.82,-19.44,CN(C)/N=N/c1[nH]cnc1C(N)=O
1273,ZINC000001530814,2004-10-06,In-Stock,2015-08-07,288.435,3.897,C18H28N2O,2,21,3,0.61,CHAA,Reference,1.0,2.0,1.0,33.0,5.0,10.24,-36.59,CCCCN1CCCC[C@@H]1C(=O)Nc1c(C)cccc1C
1274,ZINC000072481720,2012-07-11,In-Stock,2015-08-08,484.967,4.051,C25H31ClF2O5,4,33,8,0.72,JIGB,,,,,,,,,CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C
1275,ZINC000001530639,2004-10-06,In-Stock,2015-08-07,411.473,4.628,C24H26FNO4,3,30,6,0.29,HJAA,Reference,-1.0,2.0,5.0,85.0,8.0,11.08,-51.82,CC(C)n1c(/C=C/[C@H](O)C[C@H](O)CC(=O)O)c(-c2ccc(F)cc2)c2ccccc21
1276,ZINC000011617039,2008-03-01,In-Stock,2015-08-07,437.529,3.139,C21H23N7O2S,4,31,10,0.19,IGAA,Reference,0.0,2.0,8.0,119.0,5.0,7.36,-24.44,Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O
1277,ZINC000004693574,2005-12-30,In-Stock,2015-08-07,345.424,2.9,C17H19N3O3S,3,24,7,0.29,EFAA,Reference,0.0,1.0,5.0,77.0,5.0,3.71,-29.38,COc1ccc2nc([S@](=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1
1278,ZINC000019632706,2008-11-05,In-Stock,2015-08-07,388.42,3.202,C20H24N2O6,2,28,8,0.4,GGBA,Reference,0.0,1.0,7.0,107.0,6.0,11.87,-19.57,COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)C)[C@@H]1c1ccccc1[N+](=O)[O-]
1279,ZINC000003830347,2005-09-30,In-Stock,2015-08-07,224.26,0.961,C11H16N2O3,1,16,5,0.55,BCEA,Reference,-1.0,2.0,3.0,75.0,4.0,-0.25,-33.8,C=CCC1(CC(C)C)C(=O)NC(=O)NC1=O
1280,ZINC000252286876,2016-02-05,In-Stock,2016-02-26,926.107,0.778,C47H75NO17,2,65,18,0.68,KCAB,,,,,,,,,C[C@@H]1[C@@H](C)OC(=O)C[C@@H](O)C[C@@H](O)C[C@@H](O)CC[C@@H](O)[C@@H](O)CC(=O)C[C@@H](O)[C@@H](C(=O)O)[C@@H](O)C[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)/C=C/C=C/C=C/C=C/CC/C=C/C=C/[C@@H](C)[C@H]1O
1281,ZINC000100296828,2015-08-08,In-Stock,2016-03-05,348.446,4.015,C22H24N2O2,3,26,4,0.27,EIAB,Reference,0.0,1.0,3.0,57.0,6.0,13.59,-70.74,Cc1ccc(/C(=C\CN2CCCC2)c2cccc(/C=C\C(=O)O)n2)cc1
1282,ZINC000098023177,2014-07-17,In-Stock,2015-08-08,499.619,4.51,C28H33N7O2,4,37,9,0.25,JJAA,Reference,1.0,3.0,7.0,88.0,10.0,13.37,-55.92,C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN(C)C
1283,ZINC000011616852,2008-03-01,Annotated,2017-05-11,723.65,2.462,C34H36F3NO13,5,51,17,0.5,KECF,,,,,,,,,CCCCC(=O)OCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@@H](NC(=O)C(F)(F)F)[C@@H](O)[C@@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O
1284,ZINC000005844788,2006-02-17,In-Stock,2015-08-07,405.441,2.364,C22H25F2NO4,4,29,7,0.45,HEAA,Reference,1.0,3.0,4.0,75.0,6.0,5.68,-50.92,O[C@@H](CNC[C@@H](O)[C@H]1CCc2cc(F)ccc2O1)[C@@H]1CCc2cc(F)ccc2O1
1285,ZINC000043100709,2010-05-07,In-Stock,2015-08-07,615.403,3.94,C26H23FIN5O4,5,37,11,0.23,KHAA,Reference,0.0,2.0,8.0,107.0,5.0,12.06,-13.82,CC(=O)Nc1cccc(-n2c(=O)n(C3CC3)c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1
1286,ZINC000019361042,2008-10-31,In-Stock,2015-08-07,390.958,5.556,C25H27ClN2,4,28,3,0.28,GKAA,Reference,1.0,1.0,1.0,7.0,5.0,14.63,-39.95,Cc1cccc(CN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1
1287,ZINC000013298313,2008-06-16,In-Stock,2015-08-07,136.114,-0.354,C5H4N4O,2,10,5,0.0,ABAA,Reference,0.0,2.0,3.0,74.0,0.0,0.97,-12.93,O=c1[nH]cnc2[nH]ncc12
1288,ZINC000000006310,2005-09-27,In-Stock,2015-08-07,248.307,1.684,C12H12N2O2S,2,17,5,0.0,BDAA,Reference,0.0,2.0,4.0,86.0,2.0,1.0,-11.18,Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1
1289,ZINC000000001590,2004-07-23,In-Stock,2015-08-07,137.142,-0.315,C6H7N3O,1,10,4,0.0,ABGA,,,,,,,,,NNC(=O)c1ccncc1
1290,ZINC000004629876,2005-12-15,In-Stock,2015-08-07,396.659,7.641,C28H44O,3,29,1,0.71,GKEA,Reference,0.0,1.0,1.0,20.0,5.0,14.03,-2.26,C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C
1291,ZINC000013986658,2008-07-01,In-Stock,2015-08-07,415.432,3.754,C22H18FN7O,5,31,9,0.14,HHAA,Reference,0.0,2.0,7.0,101.0,5.0,11.81,-22.18,CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1
1292,ZINC000000002216,2004-07-23,In-Stock,2015-08-07,289.545,5.145,C12H7Cl3O2,2,17,5,0.0,CKAA,Reference,0.0,1.0,2.0,29.0,2.0,6.76,-4.02,Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
1293,ZINC000000120286,2004-07-23,In-Stock,2015-08-07,253.269,0.833,C12H11N7,3,19,7,0.0,CCAA,Reference,0.0,3.0,7.0,129.0,1.0,2.67,-11.42,Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1
1294,ZINC000003813061,2005-09-27,In-Stock,2015-08-07,364.423,3.037,C17H20N2O5S,2,25,8,0.24,FGAA,Reference,-1.0,2.0,6.0,121.0,8.0,4.7,-52.26,CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1
1295,ZINC000004095696,2005-11-07,In-Stock,2015-08-07,358.46,1.433,C16H26N2O5S,1,24,8,0.69,FDAA,Reference,-1.0,2.0,6.0,137.0,11.0,8.82,-90.21,CC1(C)C[C@@H]1C(=O)N/C(=C\CCCCSC[C@H](N)C(=O)O)C(=O)O
1296,ZINC000000007782,2005-09-26,In-Stock,2015-08-07,238.197,0.704,C10H8F2N4O,2,17,7,0.1,BCAA,Reference,0.0,1.0,4.0,73.0,3.0,1.5,-10.25,NC(=O)c1cn(Cc2c(F)cccc2F)nn1
1297,ZINC000013763987,2008-06-25,In-Stock,2015-08-07,372.536,4.46,C25H30N3+,3,28,3,0.24,FIEA,,,,,,,,,CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(N(C)C)cc2)cc1
1298,ZINC000000897291,2004-07-28,In-Stock,2015-08-07,204.229,1.299,C11H12N2O2,2,15,4,0.27,BDAA,Reference,0.0,1.0,2.0,49.0,2.0,4.11,-8.02,CCN1C(=O)N[C@@H](c2ccccc2)C1=O
1299,ZINC000003831405,2005-09-30,In-Stock,2015-08-07,324.424,3.173,C20H24N2O2,5,24,4,0.45,DGEA,Reference,1.0,2.0,3.0,46.0,4.0,7.5,-39.22,C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12
1300,ZINC000003960338,2005-10-25,In-Stock,2015-08-07,259.349,2.568,C16H21NO2,3,19,3,0.56,CFAA,Reference,0.0,1.0,2.0,38.0,4.0,6.65,-10.06,CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3
1301,ZINC000169289767,2015-08-08,In-Stock,2015-08-08,872.894,6.67,C34H28N6O14S4,6,58,24,0.06,KKCA,Reference,-4.0,4.0,20.0,363.0,9.0,-1.62,-216.49,Cc1cc(-c2ccc(/N=N/c3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(N)c4c3O)c(C)c2)ccc1/N=N/c1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(N)c2c1O
1302,ZINC000029416466,2009-03-13,Annotated,2017-05-21,670.855,3.092,C38H50N6O5,5,49,11,0.5,KGAF,Reference,1.0,6.0,6.0,167.0,12.0,8.36,-59.42,CC(C)(C)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1
1303,ZINC000052509366,2010-11-10,In-Stock,2015-08-07,489.931,5.544,C23H18ClF2N3O3S,4,33,10,0.13,JKAA,Reference,0.0,2.0,4.0,91.0,7.0,9.73,-20.26,CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F
1304,ZINC000003871923,2005-10-04,In-Stock,2015-08-07,481.58,0.055,C19H25N6O5S2+,4,32,13,0.53,JCEA,Reference,0.0,2.0,10.0,150.0,7.0,8.31,-56.79,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C[N+]3(C)CCCC3)CS[C@H]12)c1csc(N)n1
1305,ZINC000000896711,2005-09-30,In-Stock,2015-08-07,233.311,2.085,C14H19NO2,2,17,3,0.5,BEAA,Reference,1.0,1.0,2.0,42.0,3.0,7.54,-38.97,COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1
1306,ZINC000001530697,2004-10-06,In-Stock,2015-08-07,370.587,5.886,C21H26N2S2,4,25,4,0.43,FKAA,Reference,1.0,1.0,3.0,7.0,4.0,13.58,-41.39,CSc1ccc2c(c1)N(CC[C@H]1CCCCN1C)c1ccccc1S2
1307,ZINC000003810860,2005-09-27,In-Stock,2015-08-07,409.432,4.888,C24H21F2NO3,4,30,6,0.21,HJAA,Reference,0.0,2.0,3.0,60.0,6.0,9.16,-14.41,O=C1[C@H](CC[C@H](O)c2ccc(F)cc2)[C@@H](c2ccc(O)cc2)N1c1ccc(F)cc1
1308,ZINC000035653009,2009-10-10,In-Stock,2015-08-07,373.449,3.891,C20H20FNO3S,4,26,6,0.4,FHAA,Reference,0.0,0.0,5.0,46.0,5.0,11.13,-10.22,CC(=O)Oc1cc2c(s1)CCN([C@@H](C(=O)C1CC1)c1ccccc1F)C2
1309,ZINC000001530947,2004-10-06,In-Stock,2015-08-07,258.233,0.088,C13H10N2O4,3,19,6,0.23,CCAA,Reference,0.0,1.0,4.0,83.0,1.0,2.65,-15.57,O=C1CC[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N1
1310,ZINC000003876136,2005-10-05,In-Stock,2015-08-07,392.467,1.896,C22H29FO5,4,28,6,0.73,GDEA,Reference,0.0,3.0,5.0,94.0,2.0,3.44,-15.33,C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
1311,ZINC000001280665,2005-11-06,In-Stock,2015-08-07,299.37,1.933,C18H21NO3,5,22,4,0.61,CDAA,Reference,1.0,1.0,3.0,39.0,1.0,7.82,-61.49,COc1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314
1312,ZINC000000000856,2005-09-30,In-Stock,2015-08-07,344.411,2.223,C19H24N2O4,2,25,6,0.32,EEAA,Reference,1.0,4.0,4.0,95.0,9.0,2.01,-45.59,COc1ccc(C[C@H](C)NC[C@@H](O)c2ccc(O)c(NC=O)c2)cc1
1313,ZINC000000897229,2005-09-27,In-Stock,2015-08-07,360.244,0.598,C9H11Cl2N3O4S2,2,20,11,0.33,FCGA,,,,,,,,,CN1[C@@H](CCl)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O
1314,ZINC000003806721,2005-09-26,In-Stock,2015-08-07,299.37,1.501,C18H21NO3,5,22,4,0.56,CDAA,Reference,1.0,2.0,3.0,43.0,1.0,5.6,-49.45,COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@@H](C2)N(C)CC[C@]314
1315,ZINC000004474405,2005-12-03,In-Stock,2015-08-07,415.574,3.147,C25H37NO4,2,30,5,0.56,HGAA,Reference,0.0,4.0,4.0,89.0,12.0,5.53,-13.35,CCNC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1
1316,ZINC000034781704,2009-09-25,In-Stock,2015-08-07,321.829,3.674,C16H16ClNO2S,3,21,5,0.31,DHAA,Reference,0.0,0.0,4.0,29.0,3.0,8.01,-5.44,COC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1
1317,ZINC000043100953,2010-05-07,In-Stock,2016-03-01,450.323,1.513,C17H16FN6O6P,4,31,14,0.24,JDAA,Reference,-2.0,0.0,11.0,158.0,6.0,5.22,-143.28,Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](COP(=O)(O)O)OC4=O)cc3F)cn2)n1
1318,ZINC000001530930,2004-10-06,In-Stock,2015-08-07,262.309,1.307,C14H18N2O3,1,19,5,0.5,CDEB,Reference,0.0,1.0,3.0,66.0,3.0,4.79,-5.91,C=CC[C@@]1([C@H](C)C#CCC)C(=O)NC(=O)N(C)C1=O
1319,ZINC000100073786,2015-08-08,In-Stock,2015-08-08,562.706,4.24,C28H34O8S2,5,38,10,0.57,KIEB,,,,,,,,,CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)O)C(=O)/C2=C\c1ccc(/C=C2\C(=O)[C@@]3(CS(=O)(=O)O)CC[C@H]2C3(C)C)cc1
1320,ZINC000118913562,2015-08-08,Annotated,2017-05-12,488.577,3.699,C27H36O8,4,35,8,0.7,JHEF,,,,,,,,,CCOC(=O)O[C@]1(C(=O)COC(=O)CC)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@@]21C
1321,ZINC000000000122,2005-09-30,In-Stock,2015-08-07,290.794,3.403,C16H19ClN2O,2,20,4,0.31,CGAA,Reference,1.0,1.0,2.0,26.0,6.0,9.21,-38.78,CN(C)CCO[C@@H](c1ccc(Cl)cc1)c1ccccn1
1322,ZINC000029571072,2009-03-15,In-Stock,2016-03-01,717.779,4.585,C35H35F2N8O5S+,5,51,16,0.29,KJEA,Reference,1.0,2.0,12.0,159.0,13.0,15.93,-55.06,CNCC(=O)OCc1cccnc1N(C)C(=O)O[C@H](C)[n+]1cnn(C[C@](O)(c2cc(F)ccc2F)[C@@H](C)c2nc(-c3ccc(C#N)cc3)cs2)c1
1323,ZINC000001546066,2004-10-06,In-Stock,2015-08-07,393.443,3.405,C22H23N3O4,3,29,7,0.27,GGEA,Reference,0.0,1.0,7.0,74.0,10.0,9.61,-15.93,C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1
1324,ZINC000006845860,2006-04-27,In-Stock,2015-08-07,282.468,6.109,C18H34O2,0,20,2,0.83,CKEA,Reference,-1.0,0.0,2.0,40.0,15.0,14.25,-43.46,CCCCCCCC/C=C\CCCCCCCC(=O)O
1325,ZINC000001548097,2004-10-06,In-Stock,2015-08-07,426.488,4.827,C24H27FN2O4,4,31,7,0.42,IJAA,Reference,1.0,1.0,5.0,66.0,8.0,11.99,-62.68,COc1cc(C(C)=O)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1
1326,ZINC000004468778,2005-12-03,In-Stock,2015-08-07,453.458,-0.545,C16H15N5O7S2,3,30,14,0.25,JBEA,Reference,-2.0,2.0,12.0,190.0,8.0,5.9,-137.66,C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OCC(=O)O)c3csc(N)n3)[C@H]2SC1
1327,ZINC000049637509,2010-10-07,In-Stock,2016-11-01,717.779,4.585,C35H35F2N8O5S+,5,51,16,0.29,KJEA,Reference,1.0,2.0,12.0,159.0,13.0,15.93,-55.44,CNCC(=O)OCc1cccnc1N(C)C(=O)O[C@@H](C)[n+]1cnn(C[C@](O)(c2cc(F)ccc2F)[C@@H](C)c2nc(-c3ccc(C#N)cc3)cs2)c1
1328,ZINC000001530571,2004-10-06,In-Stock,2015-08-07,385.512,2.088,C21H31N5O2,4,28,7,0.71,GEAA,Reference,1.0,1.0,5.0,70.0,6.0,12.43,-42.06,O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1
1329,ZINC000100070954,2015-08-08,In-Stock,2015-08-08,490.626,3.074,C24H34N4O5S,3,34,10,0.54,JGAA,Reference,-1.0,2.0,5.0,126.0,7.0,6.58,-62.25,CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)N[C@@H]3CC[C@H](C)CC3)cc2)C1=O
1330,ZINC000150338755,2015-08-08,In-Stock,2015-08-08,868.457,8.66,C45H50ClN7O7S,8,61,16,0.38,KKBA,,,,,,,,,CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCOCC5)c([N+](=O)[O-])c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1
1331,ZINC000000538386,2005-09-27,In-Stock,2015-08-07,386.561,4.215,C22H30N2O2S,3,27,5,0.5,GIAA,Reference,1.0,1.0,3.0,33.0,8.0,11.45,-38.32,CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2cccs2)CC1
1332,ZINC000100003200,2015-08-08,In-Stock,2015-08-08,179.307,2.694,C12H21N,4,13,1,1.0,AFAA,,,,,,,,,C[C@@]12CC3CC(N)(C1)C[C@@](C)(C3)C2
1333,ZINC000000896731,2004-07-28,In-Stock,2015-08-07,236.296,2.732,C11H12N2O2S,2,16,5,0.18,BFAA,Reference,0.0,2.0,3.0,66.0,2.0,2.35,-10.33,C[C@H](c1cc2ccccc2s1)N(O)C(N)=O
1334,ZINC000100055899,2015-08-08,In-Stock,2015-08-08,476.474,2.973,C21H29N6O5P,3,33,12,0.43,JFAA,Reference,0.0,2.0,10.0,143.0,11.0,9.82,-17.14,CC(C)OC(=O)[C@H](C)N[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccccc1
1335,ZINC000084843283,2013-02-07,In-Stock,2015-08-08,169.567,1.774,C7H4ClNO2,2,11,4,0.0,ADAA,Reference,0.0,1.0,2.0,46.0,0.0,2.51,-6.84,O=c1[nH]c2cc(Cl)ccc2o1
1336,ZINC000003797541,2005-09-26,In-Stock,2015-08-07,349.518,5.399,C24H31NO,5,26,2,0.62,EKAA,Reference,0.0,1.0,2.0,33.0,1.0,9.52,-5.01,C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1
1337,ZINC000000020255,2005-09-27,In-Stock,2015-08-07,211.217,0.442,C10H13NO4,1,15,5,0.3,BCCA,Reference,0.0,3.0,4.0,108.0,3.0,-0.47,-37.27,C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O
1338,ZINC000003978006,2005-10-28,In-Stock,2015-08-07,470.334,3.202,C19H17Cl2N3O5S,4,30,11,0.37,JGAA,Reference,-1.0,1.0,7.0,115.0,4.0,7.2,-53.03,Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12
1339,ZINC000000056646,2005-09-30,In-Stock,2015-08-07,248.326,1.906,C14H20N2O2,2,18,4,0.43,BDAA,Reference,1.0,3.0,2.0,61.0,6.0,3.17,-42.96,CC(C)NC[C@@H](O)COc1cccc2[nH]ccc12
1340,ZINC000000075126,2005-09-26,In-Stock,2015-08-07,293.37,3.129,C18H19N3O,4,22,4,0.33,CGAA,Reference,0.0,0.0,4.0,39.0,2.0,10.65,-21.27,Cc1nccn1C[C@@H]1CCc2c(c3ccccc3n2C)C1=O
1341,ZINC000003875393,2005-10-05,In-Stock,2015-08-07,317.429,3.238,C19H27NO3,3,23,4,0.63,DGAA,Reference,0.0,0.0,4.0,38.0,4.0,7.11,-8.7,COc1cc2c(cc1OC)[C@@H]1CC(=O)[C@@H](CC(C)C)CN1CC2
1342,ZINC000001530567,2004-10-06,In-Stock,2015-08-07,307.434,2.393,C18H29NO3,2,22,4,0.67,DEAA,Reference,1.0,2.0,3.0,55.0,11.0,6.2,-41.64,CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1
1343,ZINC000000001267,2005-09-30,In-Stock,2015-08-07,233.311,2.085,C14H19NO2,2,17,3,0.5,BEAA,Reference,1.0,1.0,2.0,42.0,3.0,7.35,-38.66,COC(=O)[C@H](c1ccccc1)[C@@H]1CCCCN1
1344,ZINC000001853550,2004-10-09,In-Stock,2015-08-07,306.236,5.18,C17H17Cl2N,3,20,3,0.29,DKAA,Reference,1.0,1.0,0.0,16.0,2.0,10.12,-46.28,CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc21
1345,ZINC000000010163,2005-09-26,In-Stock,2015-08-07,199.319,1.56,C10H17NOS,4,13,3,1.0,ADAA,Reference,1.0,1.0,2.0,13.0,0.0,5.45,-38.1,C[C@@H]1O[C@@]2(CS1)CN1CCC2CC1
1346,ZINC000000009342,2005-10-30,In-Stock,2015-08-07,263.381,2.733,C16H25NO2,2,19,3,0.62,CFAA,Reference,1.0,3.0,2.0,44.0,4.0,5.21,-36.22,CN(C)C[C@H](c1ccc(O)cc1)C1(O)CCCCC1
1347,ZINC000003814395,2005-09-29,In-Stock,2016-02-24,312.453,3.883,C21H28O2,4,23,2,0.76,DHAA,Reference,0.0,1.0,2.0,37.0,1.0,8.74,-8.53,C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC
1348,ZINC000003830449,2005-09-30,In-Stock,2015-08-07,427.46,0.099,C16H17N3O7S2,3,28,12,0.38,ICAA,Reference,-1.0,2.0,9.0,151.0,7.0,1.43,-73.3,CO[C@@]1(NC(=O)Cc2cccs2)C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@@H]21
1349,ZINC000000020243,2005-09-27,In-Stock,2015-08-07,250.2,3.036,C13H8F2O3,2,18,5,0.0,CGAA,Reference,-1.0,1.0,3.0,60.0,2.0,6.81,-48.48,O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O
1350,ZINC000084589076,2013-02-03,In-Stock,2015-08-08,308.333,3.61,C19H16O4,3,23,4,0.16,DHAA,Reference,-1.0,0.0,4.0,70.0,4.0,9.75,-46.71,CC(=O)C[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O
1351,ZINC000006382803,2006-03-25,In-Stock,2015-08-07,167.197,0.598,C5H5N5S,2,11,6,0.0,ACAA,Reference,0.0,3.0,4.0,83.0,0.0,3.46,-17.14,Nc1nc2nc[nH]c2c(=S)[nH]1
1352,ZINC000043207851,2010-05-09,In-Stock,2015-08-07,306.373,3.466,C17H18N6,4,23,6,0.41,DGEA,Reference,0.0,1.0,5.0,83.0,4.0,9.34,-17.77,N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1
1353,ZINC000003872952,2005-10-04,In-Stock,2015-08-07,184.491,2.353,C3H2ClF5O,0,10,7,1.0,AEGA,,,,,,,,,FC(F)O[C@H](Cl)C(F)(F)F
1354,ZINC000003874185,2005-10-05,In-Stock,2015-08-07,378.316,4.448,C17H16F6N2O,3,26,9,0.47,GIAB,Reference,1.0,2.0,2.0,49.0,2.0,6.77,-52.56,O[C@@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@@H]1CCCCN1
1355,ZINC000003786192,2005-10-26,In-Stock,2015-08-07,356.418,4.366,C20H17FO3S,3,25,5,0.15,FIAA,Reference,-1.0,0.0,3.0,57.0,4.0,10.76,-59.41,CC1=C(CC(=O)O)c2cc(F)ccc2/C1=C\c1ccc([S@@](C)=O)cc1
1356,ZINC000001530863,2004-10-06,In-Stock,2015-08-07,259.353,2.783,C15H21N3O,2,19,4,0.4,CFAA,Reference,1.0,2.0,3.0,61.0,6.0,3.72,-45.4,COc1cc(N[C@H](C)CCCN)c2ncccc2c1
1357,ZINC000001534965,2005-09-26,In-Stock,2015-08-07,421.468,4.518,C25H24FNO4,4,31,6,0.28,HJAA,Reference,-1.0,2.0,5.0,93.0,8.0,10.83,-52.23,O=C(O)C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1
1358,ZINC000003807917,2005-09-27,In-Stock,2015-08-07,288.431,3.879,C19H28O2,4,21,2,0.84,CHAA,Reference,0.0,1.0,2.0,37.0,0.0,6.89,-6.22,C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=O
1359,ZINC000003914809,2005-10-18,In-Stock,2015-08-07,392.58,4.478,C24H40O4,4,28,4,0.96,GIAA,Reference,-1.0,2.0,4.0,80.0,4.0,7.21,-48.89,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
1360,ZINC000001542199,2004-10-06,In-Stock,2015-08-07,351.471,4.432,C21H21NO2S,3,25,4,0.33,FIEA,Reference,0.0,0.0,4.0,39.0,2.0,12.4,-7.61,CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCS3)nc1
1361,ZINC000004392649,2005-11-26,In-Stock,2015-08-07,245.322,2.251,C15H19NO2,3,18,3,0.53,BEAA,Reference,0.0,1.0,2.0,38.0,4.0,6.26,-10.53,CCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1CCO2
1362,ZINC000000537931,2005-09-26,In-Stock,2015-08-07,382.891,4.888,C22H23ClN2O2,4,27,5,0.36,GJAA,Reference,0.0,0.0,3.0,42.0,1.0,12.07,-8.72,CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1
1363,ZINC000019594594,2008-11-04,In-Stock,2015-08-07,293.407,2.967,C17H27NO3,2,21,4,0.65,CFAA,Reference,0.0,0.0,4.0,30.0,9.0,5.67,-5.29,CCCCOc1ccc(OCCCN2CCOCC2)cc1
1364,ZINC000001542930,2004-10-06,In-Stock,2015-08-07,372.549,6.264,C24H36O3,3,27,3,0.71,FKAA,Reference,0.0,1.0,3.0,46.0,6.0,10.74,-7.14,CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(=O)C[C@@H]21
1365,ZINC000001482049,2005-09-26,In-Stock,2015-08-07,213.189,-0.457,C9H11NO5,1,15,6,0.22,BBCA,Reference,0.0,4.0,5.0,128.0,3.0,-3.67,-41.96,N[C@H](C(=O)O)[C@H](O)c1ccc(O)c(O)c1
1366,ZINC000001531008,2004-10-06,In-Stock,2015-08-07,196.155,-3.493,C6H12O7,0,13,7,0.83,AAAA,Reference,-1.0,5.0,7.0,141.0,5.0,-7.71,-50.01,O=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
1367,ZINC000011615927,2008-03-01,In-Stock,2015-08-07,558.65,6.314,C33H35FN2O5,4,41,8,0.27,KKAA,Reference,-1.0,3.0,6.0,114.0,12.0,13.78,-56.42,CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@H](O)CC(=O)O
1368,ZINC000000599734,2004-07-24,In-Stock,2015-08-07,369.368,3.515,C16H14F3N3O2S,3,25,9,0.25,FHAA,Reference,0.0,1.0,4.0,67.0,5.0,5.07,-22.8,Cc1c(OCC(F)(F)F)ccnc1C[S@@](=O)c1nc2ccccc2[nH]1
1369,ZINC000012360535,2008-05-09,In-Stock,2015-08-07,160.18,0.915,C8H8N4,2,12,4,0.0,ACAA,Reference,1.0,2.0,3.0,65.0,1.0,2.84,-26.16,NNc1nncc2ccccc12
1370,ZINC000003876069,2005-10-05,In-Stock,2015-08-07,262.309,1.307,C14H18N2O3,1,19,5,0.5,CDEB,Reference,0.0,1.0,3.0,66.0,3.0,4.8,-5.93,C=CC[C@]1([C@H](C)C#CCC)C(=O)NC(=O)N(C)C1=O
1371,ZINC000019632618,2008-11-05,In-Stock,2015-08-07,493.615,4.59,C29H31N7O,5,37,8,0.24,JJAA,Reference,1.0,3.0,6.0,87.0,7.0,12.99,-49.34,Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2cccnc2)n1
1372,ZINC000003823475,2005-09-29,In-Stock,2015-08-07,382.529,3.821,C22H26N2O2S,4,27,5,0.36,GHAA,Reference,1.0,2.0,2.0,54.0,6.0,10.2,-46.51,CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12
1373,ZINC000001853205,2004-10-09,In-Stock,2015-08-07,430.545,2.773,C24H34N2O5,3,31,7,0.62,IFAA,Reference,-1.0,1.0,6.0,98.0,9.0,11.53,-47.51,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@@H]21
1374,ZINC000000000323,2005-09-26,In-Stock,2015-08-07,244.265,3.681,C15H13FO2,2,18,3,0.13,BHAA,Reference,-1.0,0.0,2.0,40.0,3.0,9.96,-44.36,C[C@H](C(=O)O)c1ccc(-c2ccccc2)c(F)c1
1375,ZINC000000968336,2005-09-26,In-Stock,2015-08-07,325.496,5.341,C22H31NO,2,24,2,0.45,EKAA,Reference,1.0,2.0,1.0,24.0,7.0,10.77,-32.07,Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1
1376,ZINC000000014360,2005-09-26,In-Stock,2015-08-07,295.408,1.321,C14H21N3O2S,2,20,6,0.43,CDAA,Reference,1.0,3.0,2.0,66.0,6.0,4.17,-47.95,CNS(=O)(=O)Cc1ccc2[nH]cc(CCN(C)C)c2c1
1377,ZINC000000968273,2005-09-30,In-Stock,2015-08-07,301.474,4.331,C20H31NO,3,22,2,0.7,DIAA,Reference,1.0,2.0,1.0,24.0,5.0,9.86,-38.6,O[C@@](CCN1CCCCC1)(c1ccccc1)C1CCCCC1
1378,ZINC000002519740,2004-10-27,In-Stock,2015-08-07,288.28,3.379,C13H21O5P,1,19,6,0.54,CGAB,Reference,-1.0,0.0,5.0,81.0,6.0,5.84,-45.17,CC(C)c1cccc(C(C)C)c1OCOP(=O)(O)O
1379,ZINC000008551178,2006-08-01,Annotated,2015-08-07,477.603,-3.327,C21H43N5O7,3,33,12,1.0,JAAF,,,,,,,,,CN[C@H]1[C@H](O)[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3O[C@H]([C@@H](C)NC)CC[C@H]3N)[C@H]2O)OC[C@@]1(C)O
1380,ZINC000001481833,2005-11-15,In-Stock,2015-08-07,211.268,1.804,C13H13N3,4,16,3,0.38,BDAA,Reference,1.0,1.0,2.0,42.0,0.0,4.09,-43.57,c1cnc2cc3c(cc2n1)[C@H]1CNC[C@@H]3C1
1381,ZINC000000601250,2005-09-27,In-Stock,2015-08-07,397.758,6.518,C18H15Cl3N2S,3,24,6,0.17,GKAA,Reference,0.0,0.0,3.0,17.0,6.0,14.09,-7.98,Clc1ccc(CS[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
1382,ZINC000034636383,2009-09-17,In-Stock,2015-08-07,386.448,2.376,C21H26N2O5,3,28,7,0.38,GEAA,Reference,1.0,4.0,5.0,104.0,7.0,1.05,-53.54,COc1ccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3c2OCC(=O)N3)cc1
1383,ZINC000001485935,2004-08-19,In-Stock,2015-08-07,437.475,4.243,C22H17F2N5OS,4,31,9,0.18,IIEA,Reference,0.0,1.0,7.0,87.0,6.0,11.59,-11.93,C[C@@H](c1nc(-c2ccc(C#N)cc2)cs1)[C@](O)(Cn1cncn1)c1cc(F)ccc1F
1384,ZINC000003785268,2005-09-26,In-Stock,2015-08-07,415.574,4.107,C25H37NO4,2,30,5,0.52,HIAA,Reference,1.0,4.0,4.0,86.0,16.0,6.12,-47.83,OCc1cc([C@H](O)CNCCCCCCOCCCCc2ccccc2)ccc1O
1385,ZINC000022443609,2008-12-16,In-Stock,2015-08-07,502.796,0.416,C28H54N8,3,36,8,0.79,KCAA,Reference,4.0,6.0,4.0,96.0,4.0,1.13,-273.93,c1cc(CN2CCCNCCNCCCNCC2)ccc1CN1CCCNCCNCCCNCC1
1386,ZINC000100003902,2015-08-08,In-Stock,2015-08-08,513.677,5.951,C29H41F2N5O,5,37,8,0.69,KKAA,Reference,1.0,2.0,4.0,64.0,8.0,15.6,-70.53,Cc1nnc(C(C)C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1
1387,ZINC000003778874,2005-09-26,In-Stock,2015-08-07,285.31,2.659,C17H11N5,3,22,5,0.06,CFEA,,,,,,,,,N#Cc1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1
1388,ZINC000001530635,2004-10-06,In-Stock,2015-08-07,321.337,0.541,C14H19N5O4,2,23,9,0.5,DCAA,Reference,0.0,1.0,9.0,122.0,7.0,9.1,-19.04,CC(=O)OCC(CCn1cnc2cnc(N)nc21)COC(C)=O
1389,ZINC000022448696,2008-12-16,In-Stock,2015-08-07,613.803,2.867,C36H47N5O4,5,45,9,0.47,KFAA,Reference,0.0,4.0,7.0,118.0,11.0,6.62,-16.21,CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O
1390,ZINC000019594557,2008-11-04,In-Stock,2015-08-07,390.958,5.556,C25H27ClN2,4,28,3,0.28,GKAA,Reference,1.0,1.0,1.0,7.0,5.0,14.87,-40.3,Cc1cccc(CN2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c1
1391,ZINC000003830961,2005-09-30,In-Stock,2015-08-07,613.915,2.517,C11H9I3N2O4,1,20,9,0.18,KFAA,Reference,-1.0,2.0,4.0,98.0,3.0,5.24,-46.4,CNC(=O)c1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I
1392,ZINC000000896463,2005-09-30,In-Stock,2015-08-07,292.379,1.699,C16H24N2O3,2,21,5,0.56,CDAA,Reference,1.0,3.0,3.0,75.0,5.0,2.82,-45.77,CC(C)(C)NC[C@H](O)COc1cccc2c1CCC(=O)N2
1393,ZINC000003927200,2005-10-20,In-Stock,2015-08-07,366.501,4.306,C24H30O3,7,27,3,0.83,FIEA,Reference,0.0,0.0,3.0,43.0,0.0,12.34,-13.24,C[C@]12CC[C@H]3[C@H]([C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1)[C@H]1C[C@H]1C1=CC(=O)CC[C@@]13C
1394,ZINC000003782807,2005-09-26,In-Stock,2015-08-07,371.345,2.477,C19H17NO7,3,27,8,0.26,FEBA,Reference,-2.0,0.0,8.0,132.0,5.0,9.4,-81.54,CCCc1c2oc(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)n(CC)c12
1395,ZINC000100296832,2015-08-08,In-Stock,2016-03-05,348.446,4.015,C22H24N2O2,3,26,4,0.27,EIAB,Reference,0.0,1.0,3.0,57.0,6.0,14.03,-64.1,Cc1ccc(/C(=C/CN2CCCC2)c2cccc(/C=C\C(=O)O)n2)cc1
1396,ZINC000012402836,2008-05-12,In-Stock,2015-08-07,405.969,6.563,C26H28ClNO,3,29,3,0.23,HKAA,Reference,1.0,1.0,1.0,13.0,9.0,16.33,-35.06,CCN(CC)CCOc1ccc(/C(=C(\Cl)c2ccccc2)c2ccccc2)cc1
1397,ZINC000006409735,2006-03-26,In-Stock,2015-08-07,305.502,3.198,C9H5ClINO,2,13,4,0.0,DGAA,Reference,-1.0,0.0,2.0,35.0,0.0,4.44,-38.89,Oc1c(I)cc(Cl)c2cccnc12
1398,ZINC000003830218,2005-09-30,In-Stock,2015-08-07,349.412,0.318,C16H19N3O4S,3,24,8,0.44,ECAA,Reference,-1.0,2.0,6.0,115.0,4.0,2.04,-50.65,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O
1399,ZINC000004216238,2005-11-15,In-Stock,2015-08-07,285.235,-1.841,C10H12FN5O4,3,20,10,0.5,CAAA,Reference,0.0,4.0,9.0,139.0,2.0,-5.88,-13.5,Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
1400,ZINC000005844792,2006-02-17,In-Stock,2015-08-07,405.441,2.364,C22H25F2NO4,4,29,7,0.45,HEAB,Reference,1.0,3.0,4.0,75.0,6.0,5.75,-50.2,O[C@@H](CNC[C@H](O)[C@@H]1CCc2cc(F)ccc2O1)[C@@H]1CCc2cc(F)ccc2O1
1401,ZINC000100017404,2015-08-08,In-Stock,2015-08-08,144.126,-0.111,C6H8O4,0,10,4,0.33,ABAA,,,,,,,,,COC(=O)/C=C\C(=O)OC
1402,ZINC000000057313,2005-09-26,In-Stock,2015-08-07,287.359,3.383,C17H21NO3,3,21,4,0.47,CGAA,Reference,-1.0,1.0,3.0,65.0,4.0,9.13,-47.22,CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)O)OCC3
1403,ZINC000000004321,2005-09-26,In-Stock,2015-08-07,212.23,0.616,C8H8N2O3S,2,14,6,0.12,BCAA,Reference,0.0,1.0,4.0,86.0,2.0,-0.5,-19.2,NS(=O)(=O)Cc1noc2ccccc12
1404,ZINC000005733652,2006-02-11,In-Stock,2015-08-07,300.266,2.585,C16H12O6,3,22,6,0.06,DFAA,Reference,0.0,2.0,6.0,102.0,2.0,1.11,-14.11,COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O
1405,ZINC000004212851,2005-11-15,In-Stock,2015-08-07,416.514,2.327,C24H32O6,5,30,6,0.75,HEEA,Reference,0.0,2.0,6.0,93.0,2.0,5.61,-16.45,CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1
1406,ZINC000000538312,2005-09-26,In-Stock,2015-08-07,410.493,3.59,C23H27FN4O2,5,30,7,0.52,HHAA,Reference,1.0,1.0,5.0,65.0,4.0,12.27,-51.96,Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2
1407,ZINC000003951740,2005-10-24,In-Stock,2015-08-07,628.814,4.328,C37H48N4O5,4,46,9,0.43,KIAA,Reference,0.0,4.0,5.0,120.0,15.0,16.1,-28.92,Cc1cccc(C)c1OCC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N1CCCNC1=O
1408,ZINC000000967597,2004-08-06,In-Stock,2015-08-07,150.221,2.824,C10H14O,1,11,1,0.4,AFAA,Reference,0.0,1.0,1.0,20.0,1.0,4.34,-3.47,Cc1ccc(C(C)C)c(O)c1
1409,ZINC000003871978,2005-10-04,In-Stock,2015-08-07,424.391,-0.536,C16H16N4O8S,3,29,13,0.31,HBEA,Reference,-1.0,2.0,10.0,176.0,7.0,2.42,-68.99,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@H]12)c1ccco1
1410,ZINC000003977737,2005-10-28,In-Stock,2015-08-07,265.222,-2.891,C8H15N3O7,1,18,10,0.88,CAGA,,,,,,,,,CN(N=O)C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
1411,ZINC000002016052,2004-10-10,In-Stock,2015-08-07,92.525,0.624,C3H5ClO,1,5,2,1.0,ACGA,,,,,,,,,ClC[C@H]1CO1
1412,ZINC000100008319,2015-08-08,In-Stock,2015-08-08,392.522,2.346,C19H22NO4S2+,5,26,7,0.53,GEBA,Reference,1.0,1.0,6.0,59.0,4.0,9.17,-39.48,C[N+]1(C)[C@H]2C[C@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@@H]1[C@H]1O[C@@H]21
1413,ZINC000000000509,2005-12-13,In-Stock,2015-08-07,265.36,2.479,C17H19N3,4,20,3,0.35,CEAA,Reference,0.0,0.0,3.0,19.0,0.0,6.15,-6.83,CN1CCN2c3ncccc3Cc3ccccc3[C@@H]2C1
1414,ZINC000000602128,2004-07-24,In-Stock,2015-08-07,388.895,4.17,C21H25ClN2O3,3,27,6,0.43,GIAA,Reference,0.0,1.0,4.0,66.0,8.0,12.49,-58.24,O=C(O)CCCN1CCC(O[C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1
1415,ZINC000000007673,2004-07-23,In-Stock,2015-08-07,250.298,0.454,C13H18N2O3,1,18,5,0.38,CCAA,Reference,0.0,2.0,3.0,67.0,6.0,1.94,-9.36,COC[C@@H](NC(C)=O)C(=O)NCc1ccccc1
1416,ZINC000049933061,2010-10-12,In-Stock,2015-08-07,556.769,7.049,C31H44N2O5S,3,39,8,0.52,KKAA,Reference,1.0,2.0,5.0,90.0,18.0,14.98,-52.17,CCCCc1oc2ccc(NS(C)(=O)=O)cc2c1C(=O)c1ccc(OCCCN(CCCC)CCCC)cc1
1417,ZINC000003794711,2005-09-26,In-Stock,2015-08-07,219.281,-1.454,C10H21NO4,1,15,5,1.0,BAAA,Reference,1.0,5.0,4.0,85.0,4.0,-4.64,-34.14,CCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
1418,ZINC000003787097,2005-09-26,In-Stock,2015-08-07,393.846,3.145,C19H21ClFN3O3,4,27,8,0.47,GGAA,Reference,0.0,1.0,5.0,93.0,3.0,8.3,-95.68,N[C@@H]1CCCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1
1419,ZINC000004258316,2005-11-16,In-Stock,2015-08-07,277.269,1.146,C9H7N7O2S,3,19,10,0.11,CDBA,Reference,0.0,1.0,8.0,115.0,3.0,8.0,-23.47,Cn1cnc([N+](=O)[O-])c1Sc1ncnc2nc[nH]c12
1420,ZINC000011677376,2008-03-03,In-Stock,2015-08-07,285.774,4.259,C17H16ClNO,4,20,3,0.29,CIAA,Reference,0.0,0.0,2.0,12.0,0.0,7.94,-4.09,CN1C[C@@H]2c3ccccc3Oc3ccc(Cl)cc3[C@@H]2C1
1421,ZINC000004095858,2005-11-07,In-Stock,2015-08-07,430.717,8.84,C29H50O2,2,31,2,0.79,IKAA,Reference,0.0,1.0,2.0,29.0,12.0,15.86,-4.68,Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2
1422,ZINC000100061056,2015-08-08,In-Stock,2015-08-08,136.154,1.609,C7H8N2O,1,10,3,0.14,ADAA,Reference,0.0,0.0,3.0,32.0,1.0,4.23,-30.03,CN1C=CC=C/C1=C/N=O
1423,ZINC000000020783,2005-09-29,In-Stock,2015-08-07,221.344,3.084,C14H23NO,1,16,2,0.57,BGAA,Reference,1.0,2.0,1.0,24.0,5.0,6.67,-36.26,CC[C@@H](c1cccc(O)c1)[C@@H](C)CN(C)C
1424,ZINC000100036924,2015-08-08,In-Stock,2015-08-08,464.858,0.265,C21H21ClN2O8,4,32,11,0.38,JCEA,Reference,-1.0,5.0,8.0,188.0,2.0,0.49,-85.87,CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@H](O)[C@H]3C[C@@H]12
1425,ZINC000003812851,2005-09-27,In-Stock,2015-08-07,348.399,1.126,C18H24N2O5,2,25,7,0.5,EDAA,Reference,-1.0,1.0,5.0,117.0,8.0,9.4,-71.7,C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O
1426,ZINC000014768621,2008-07-15,In-Stock,2015-08-07,505.458,3.337,C22H30Cl2N10,2,34,12,0.27,KGEA,Reference,4.0,10.0,0.0,174.0,9.0,14.58,-258.44,NC(=N/CCCCCC/N=C(N)/N=C(\N)Nc1ccc(Cl)cc1)/N=C(/N)Nc1ccc(Cl)cc1
1427,ZINC000000001175,2005-09-27,In-Stock,2015-08-07,300.745,3.371,C16H13ClN2O2,3,21,5,0.12,DGAA,,,,,,,,,CN1C(=O)CC(=O)N(c2ccccc2)c2cc(Cl)ccc21
1428,ZINC000169621200,2015-08-08,In-Stock,2016-02-28,785.891,6.158,C43H51N3O11,6,57,14,0.44,KKBA,High pH (8.4),-2.0,3.0,13.0,204.0,2.0,12.89,-155.86,CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C
1429,ZINC000008551180,2006-08-01,Annotated,2015-08-07,477.603,-3.327,C21H43N5O7,3,33,12,1.0,JAAF,,,,,,,,,CN[C@H]1[C@H](O)[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3O[C@@H]([C@@H](C)NC)CC[C@H]3N)[C@H]2O)OC[C@@]1(C)O
1430,ZINC000053683271,2010-11-24,Annotated,2018-02-04,690.86,2.269,C34H50N4O9S,3,48,14,0.62,KEAF,,,,,,,,,CCN(CC)CCS(=O)(=O)[C@@H]1CCN2C(=O)c3coc(n3)CC(=O)C[C@H](O)/C=C(C)\C=C/CNC(=O)/C=C\[C@@H](C)[C@@H](C(C)C)OC(=O)[C@H]12
1431,ZINC000000005423,2005-09-26,In-Stock,2015-08-07,316.382,3.723,C16H16N2O3S,2,22,6,0.31,DHEA,Reference,-1.0,0.0,6.0,86.0,5.0,8.67,-48.94,Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O
1432,ZINC000009574770,2007-09-02,In-Stock,2016-02-25,812.018,4.929,C43H65N5O10,5,58,15,0.72,KJAA,,,,,,,,,CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)O[C@]12C
1433,ZINC000000968264,2005-09-27,In-Stock,2015-08-07,287.406,4.698,C21H21N,4,22,1,0.24,CJAA,Reference,1.0,1.0,0.0,4.0,0.0,12.95,-37.72,CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1
1434,ZINC000000001899,2005-09-29,In-Stock,2015-08-07,253.262,-1.307,C10H15N5O3,2,18,8,0.5,CAAA,Reference,0.0,4.0,7.0,130.0,5.0,0.54,-21.41,Nc1nc2c(ncn2CCC(CO)CO)c(=O)[nH]1
1435,ZINC000000000271,2004-07-23,In-Stock,2015-08-07,204.229,1.299,C11H12N2O2,2,15,4,0.27,BDAA,Reference,0.0,1.0,2.0,49.0,2.0,4.12,-7.87,CCN1C(=O)N[C@H](c2ccccc2)C1=O
1436,ZINC000096006020,2014-03-19,In-Stock,2015-08-08,853.918,3.736,C47H51NO14,7,62,15,0.45,KHAA,,,,,,,,,CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C
1437,ZINC000018043251,2008-09-30,In-Stock,2015-08-07,180.167,-1.04,C7H8N4O2,2,13,6,0.29,AAAA,Reference,0.0,1.0,5.0,72.0,0.0,3.34,-16.43,Cn1c(=O)c2[nH]cnc2n(C)c1=O
1438,ZINC000085540219,2013-02-19,In-Stock,2015-08-08,791.115,-0.988,C18H24I3N3O8,1,32,14,0.5,KBAB,Reference,0.0,7.0,8.0,179.0,11.0,-6.46,-17.24,CC(=O)N(C[C@H](O)CO)c1c(I)c(C(=O)NCCO)c(I)c(C(=O)NC[C@@H](O)CO)c1I
1439,ZINC000003941829,2005-10-21,In-Stock,2015-08-07,585.616,2.52,C25H36N3O9PS,3,39,14,0.48,KFAA,Reference,-2.0,2.0,10.0,183.0,13.0,5.38,-167.29,CC(C)CN(C[C@@H](OP(=O)(O)O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1
1440,ZINC000164760874,2015-08-08,Annotated,2018-02-05,749.956,5.254,C38H47N5O7S2,7,52,14,0.55,KKAF,,,,,,,,,COc1ccc2c(O[C@H]3C[C@H]4C(=O)N[C@]5(C(=O)NS(=O)(=O)C6CC6)C[C@@H]5/C=C\CCCCN(C)C(=O)[C@@H]4C3)cc(-c3nc(C(C)C)cs3)nc2c1C
1441,ZINC000004214603,2005-11-15,For-Sale,2015-08-07,428.903,3.09,C22H27ClF2O4,4,29,7,0.73,IGGE,,,,,,,,,C[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl
1442,ZINC000003830999,2005-09-30,In-Stock,2015-08-07,650.976,3.953,C15H12I3NO4,2,23,8,0.13,KHAA,Reference,0.0,2.0,4.0,97.0,5.0,7.47,-38.89,N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
1443,ZINC000005179119,2006-01-24,In-Stock,2015-08-07,214.246,0.934,C8H10N2O3S,1,14,6,0.12,BCEA,Reference,-1.0,1.0,4.0,91.0,2.0,-2.09,-51.16,C/C(O)=N/S(=O)(=O)c1ccc(N)cc1
1444,ZINC000001530788,2004-10-06,In-Stock,2015-08-07,468.37,2.115,C23H16O11,4,34,11,0.13,JEAA,Reference,-2.0,1.0,11.0,179.0,8.0,10.32,-117.9,O=C(O)c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1
1445,ZINC000000597013,2005-09-26,In-Stock,2015-08-07,379.5,4.361,C24H29NO3,4,28,4,0.46,GIAA,Reference,1.0,1.0,3.0,39.0,6.0,12.52,-50.64,COc1cc2c(cc1OC)C(=O)[C@@H](CC1CCN(Cc3ccccc3)CC1)C2
1446,ZINC000003952881,2005-10-24,In-Stock,2015-08-07,357.322,2.71,C17H15N3O6,2,26,9,0.12,FFCA,Reference,-2.0,2.0,8.0,150.0,7.0,7.3,-118.44,O=C(O)CCNC(=O)c1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)cc1
1447,ZINC000000968233,2004-08-06,In-Stock,2015-08-07,182.222,2.918,C13H10O,2,14,1,0.0,AFAA,Reference,0.0,0.0,1.0,17.0,2.0,7.73,-7.54,O=C(c1ccccc1)c1ccccc1
1448,ZINC000001319780,2005-09-27,In-Stock,2015-08-07,467.65,4.414,C29H41NO4,8,34,5,0.79,JIAA,Reference,1.0,3.0,4.0,63.0,4.0,8.7,-54.09,CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5
1449,ZINC000003871703,2005-10-04,In-Stock,2015-08-07,388.895,4.17,C21H25ClN2O3,3,27,6,0.43,GIAB,Reference,0.0,1.0,4.0,66.0,8.0,12.37,-60.02,O=C(O)CCCN1CCC(O[C@H](c2ccc(Cl)cc2)c2ccccn2)CC1
1450,ZINC000000004009,2005-09-26,In-Stock,2015-08-07,306.276,0.736,C13H12F2N6O,3,22,9,0.23,DCAA,Reference,0.0,1.0,7.0,81.0,5.0,9.24,-12.48,OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F
1451,ZINC000001543475,2004-10-06,In-Stock,2015-08-07,287.216,-0.051,C9H14N5O4P,2,19,10,0.44,CBAA,Reference,-1.0,2.0,8.0,139.0,5.0,1.5,-46.62,C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)O
1452,ZINC000003813083,2005-09-27,In-Stock,2015-08-07,340.443,2.705,C21H26NO3+,3,25,4,0.38,EFBA,Reference,1.0,1.0,3.0,46.0,4.0,11.71,-35.68,C[N+]1(C)CCC[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C1
1453,ZINC000019632834,2008-11-05,In-Stock,2015-08-07,388.815,1.568,C17H17ClN6O3,4,27,10,0.35,GDAA,Reference,0.0,1.0,7.0,96.0,2.0,4.63,-23.79,CN1CCN(C(=O)O[C@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1
1454,ZINC000000895034,2005-10-03,In-Stock,2015-08-07,105.093,-1.609,C3H7NO3,0,7,4,0.67,AAAA,Reference,0.0,2.0,3.0,88.0,2.0,-3.05,-33.93,N[C@@H](CO)C(=O)O
1455,ZINC000003830960,2005-09-30,In-Stock,2015-08-07,791.115,-0.407,C18H24I3N3O8,1,32,14,0.5,KBAA,Reference,0.0,6.0,8.0,168.0,11.0,-4.31,-21.32,COCC(=O)Nc1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)N(C)C[C@@H](O)CO)c1I
1456,ZINC000003986735,2005-10-30,In-Stock,2015-08-07,488.017,3.314,C22H26ClN7O2S,4,33,11,0.36,JGAA,Reference,0.0,3.0,9.0,106.0,7.0,7.07,-17.68,Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1
1457,ZINC000006627681,2006-04-10,In-Stock,2015-08-07,290.323,1.258,C14H18N4O3,2,21,7,0.29,CDAA,Reference,0.0,2.0,7.0,105.0,5.0,4.4,-13.47,COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
1458,ZINC000003920028,2005-10-19,In-Stock,2015-08-07,484.967,4.051,C25H31ClF2O5,4,33,8,0.72,JIGA,,,,,,,,,CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
1459,ZINC000000596881,2005-09-26,In-Stock,2015-08-07,381.69,5.801,C18H15Cl3N2O,3,24,6,0.17,GKAA,Reference,0.0,0.0,3.0,27.0,6.0,12.87,-6.15,Clc1ccc(CO[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
1460,ZINC000001995484,2004-10-10,In-Stock,2015-08-07,354.367,-1.437,C14H22N6O5,2,25,11,0.57,FAAA,Reference,1.0,4.0,9.0,172.0,8.0,1.89,-56.9,CC(C)[C@H](N)C(=O)OC[C@H](CO)OCn1cnc2c(=O)[nH]c(N)nc21
1461,ZINC000003784182,2005-09-26,In-Stock,2015-08-07,412.529,6.681,C28H28O3,7,31,3,0.39,HKAA,Reference,-1.0,0.0,3.0,49.0,4.0,15.7,-51.71,COc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2
1462,ZINC000000005823,2005-09-26,In-Stock,2015-08-07,348.428,2.734,C16H20N4O3S,2,24,8,0.25,EFEA,Reference,-1.0,2.0,5.0,102.0,5.0,1.89,-52.47,Cc1cccc(Nc2ccncc2S(=O)(=O)/N=C(\O)NC(C)C)c1
1463,ZINC000001540998,2004-10-06,In-Stock,2015-08-07,427.417,0.666,C20H21N5O6,3,31,11,0.25,ICAA,Reference,-2.0,4.0,8.0,196.0,9.0,8.7,-126.98,Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1
1464,ZINC000034125842,2009-08-11,In-Stock,2015-08-07,285.774,4.259,C17H16ClNO,4,20,3,0.29,CIAA,,,,,,,,,CN1C[C@@H]2c3cc(Cl)ccc3Oc3ccccc3[C@@H]2C1
1465,ZINC000003806413,2005-09-26,In-Stock,2015-08-07,359.354,0.76,C15H22FN3O6,2,25,10,0.67,FCAA,Reference,-1.0,2.0,8.0,124.0,6.0,-0.91,-52.13,CCCCCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C)[C@@H](O)[C@H]2O)cc1F
1466,ZINC000003589203,2004-11-08,In-Stock,2015-08-07,163.198,-0.494,C5H9NO3S,0,10,5,0.6,ABEA,Reference,-1.0,2.0,4.0,69.0,3.0,1.78,-47.68,CC(=O)N[C@@H](CS)C(=O)O
1467,ZINC000084758235,2013-02-06,In-Stock,2016-03-01,546.937,4.51,C25H22ClF3N6O3,4,38,13,0.2,KJAA,Reference,0.0,2.0,8.0,146.0,8.0,11.71,-45.19,Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(-c3ccc(C[C@H](N)C(=O)O)cc3)nc(N)n2)C(F)(F)F)n1
1468,ZINC000001530726,2004-10-06,In-Stock,2015-08-07,320.046,5.929,C14H10Cl4,2,18,4,0.14,DKGA,,,,,,,,,Clc1ccc([C@@H](c2ccccc2Cl)C(Cl)Cl)cc1
1469,ZINC000003977777,2005-10-28,In-Stock,2015-08-07,502.579,3.524,C28H35FO7,6,36,8,0.75,KHEA,Reference,0.0,1.0,7.0,99.0,3.0,10.72,-16.91,CC(=O)OCC(=O)[C@@]12OC3(CCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C
1470,ZINC000008101109,2006-06-30,In-Stock,2015-08-07,126.004,-0.158,CH3O5P,0,7,6,0.0,ABAA,Reference,-3.0,0.0,5.0,103.0,1.0,-0.42,-232.14,O=C(O)P(=O)(O)O
1471,ZINC000008551179,2006-08-01,Annotated,2015-08-07,477.603,-3.327,C21H43N5O7,3,33,12,1.0,JAAF,,,,,,,,,CN[C@@H](C)[C@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@@H](O[C@@H]3OC[C@@](C)(O)[C@@H](NC)[C@@H]3O)[C@@H]2O)O1
1472,ZINC000000897232,2004-07-28,In-Stock,2015-08-07,360.244,0.598,C9H11Cl2N3O4S2,2,20,11,0.33,FCGA,,,,,,,,,CN1[C@H](CCl)Nc2cc(Cl)c(S(N)(=O)=O)cc2S1(=O)=O
1473,ZINC000003876068,2005-10-05,In-Stock,2015-08-07,262.309,1.307,C14H18N2O3,1,19,5,0.5,CDEB,Reference,0.0,1.0,3.0,66.0,3.0,4.78,-5.96,C=CC[C@@]1([C@@H](C)C#CCC)C(=O)NC(=O)N(C)C1=O
1474,ZINC000030691727,2009-04-01,In-Stock,2015-08-07,484.663,4.667,C26H30NO4S2+,6,33,7,0.42,JJBA,Reference,1.0,1.0,6.0,55.0,9.0,14.43,-39.31,O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1
1475,ZINC000256433955,2016-02-16,For-Sale,2017-07-16,327.468,4.144,C21H29NO2,4,24,3,0.76,EIEE,,,,,,,,,C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=NO)CC[C@@H]4[C@@H]3CC[C@@]21CC
1476,ZINC000004468780,2005-12-03,In-Stock,2015-08-07,455.474,-0.622,C16H17N5O7S2,3,30,14,0.38,JBEA,Reference,-1.0,2.0,12.0,176.0,7.0,5.85,-70.42,CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(N)n1
1477,ZINC000001531009,2005-09-26,In-Stock,2015-08-07,283.113,-0.374,C7H11NO7P2,1,17,10,0.29,CBAA,High pH (8.4),-4.0,1.0,8.0,159.0,4.0,-2.44,-388.85,O=P(O)(O)C(O)(Cc1cccnc1)P(=O)(O)O
1478,ZINC000003861806,2005-10-03,In-Stock,2015-08-07,414.41,2.409,C22H22O8,5,30,8,0.41,HEAA,Reference,0.0,1.0,8.0,92.0,4.0,4.99,-17.04,COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC
1479,ZINC000011615926,2008-03-01,In-Stock,2015-08-07,558.65,6.314,C33H35FN2O5,4,41,8,0.27,KKAA,Reference,-1.0,3.0,6.0,114.0,12.0,13.77,-56.64,CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@H](O)C[C@@H](O)CC(=O)O
1480,ZINC000000538283,2004-07-24,In-Stock,2015-08-07,376.453,2.0,C20H28N2O5,2,27,7,0.55,GEAA,Reference,1.0,1.0,5.0,77.0,7.0,10.41,-42.6,CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCC(=O)OC)CC1
1481,ZINC000000896634,2005-09-27,In-Stock,2015-08-07,300.745,2.472,C16H13ClN2O2,3,21,5,0.12,DEAA,Reference,0.0,1.0,3.0,52.0,1.0,3.8,-11.6,CN1C(=O)[C@@H](O)N=C(c2ccccc2)c2cc(Cl)ccc21
1482,ZINC000001530618,2005-10-04,In-Stock,2015-08-07,339.483,3.362,C21H29N3O,2,25,4,0.43,EGAA,Reference,1.0,2.0,2.0,60.0,8.0,7.53,-32.59,CC(C)N(CC[C@](C(N)=O)(c1ccccc1)c1ccccn1)C(C)C
1483,ZINC000001530862,2004-10-06,In-Stock,2015-08-07,259.353,2.783,C15H21N3O,2,19,4,0.4,CFAA,Reference,1.0,2.0,3.0,61.0,6.0,3.72,-45.38,COc1cc(N[C@@H](C)CCCN)c2ncccc2c1
1484,ZINC000012503187,2008-05-16,In-Stock,2015-08-07,498.586,6.507,C32H26N4O2,6,38,6,0.09,JKAA,Reference,0.0,2.0,3.0,78.0,4.0,14.56,-18.04,Cc1nc2c([nH]1)-c1ccccc1N(C(=O)c1ccc(NC(=O)c3ccccc3-c3ccccc3)cc1)CC2
1485,ZINC000000000973,2005-10-28,In-Stock,2015-08-07,310.393,4.448,C20H22O3,2,23,3,0.3,DIAA,Reference,-1.0,0.0,3.0,49.0,4.0,10.58,-56.02,COc1ccc(C(=O)CC(=O)c2ccc(C(C)(C)C)cc2)cc1
1486,ZINC000000057001,2005-09-27,In-Stock,2015-08-07,217.29,0.628,C9H15NO3S,1,14,5,0.78,BCEA,Reference,-1.0,1.0,4.0,60.0,3.0,5.03,-57.17,C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O
1487,ZINC000000000565,2005-09-27,In-Stock,2015-08-07,269.388,3.663,C18H23NO,2,20,2,0.33,CHAA,Reference,1.0,1.0,1.0,13.0,6.0,10.87,-34.36,Cc1ccccc1[C@H](OCCN(C)C)c1ccccc1
1488,ZINC000100071256,2015-08-08,In-Stock,2015-08-08,157.213,0.836,C8H15NO2,1,11,3,0.88,ACAA,Reference,0.0,1.0,2.0,67.0,2.0,3.21,-69.55,NC[C@H]1CC[C@@H](C(=O)O)CC1
1489,ZINC000003914808,2005-10-18,In-Stock,2015-08-07,392.58,4.478,C24H40O4,4,28,4,0.96,GIAA,Reference,-1.0,2.0,4.0,80.0,4.0,7.62,-48.31,C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O
1490,ZINC000008403947,2006-07-13,In-Stock,2015-08-07,149.237,1.966,C10H15N,1,11,1,0.4,ADAA,Reference,1.0,1.0,0.0,27.0,2.0,4.44,-37.13,CC(C)(N)Cc1ccccc1
1491,ZINC000007997966,2006-06-27,In-Stock,2015-08-07,314.257,1.945,C14H10N4O5,3,23,9,0.07,DDEB,Reference,0.0,1.0,6.0,118.0,4.0,4.42,-23.55,O=C1CN(/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(O)=N1
1492,ZINC000000113355,2005-09-30,In-Stock,2015-08-07,167.208,0.645,C9H13NO2,1,12,3,0.33,ACAA,Reference,1.0,3.0,2.0,57.0,3.0,-0.72,-41.84,CNC[C@H](O)c1cccc(O)c1
1493,ZINC000002008866,2004-10-10,In-Stock,2015-08-07,337.351,1.124,C16H20FN3O4,3,24,8,0.5,EDAA,Reference,0.0,1.0,5.0,71.0,4.0,2.43,-21.53,CC(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1
1494,ZINC000000002299,2005-09-26,In-Stock,2015-08-07,285.774,4.259,C17H16ClNO,4,20,3,0.29,CIAA,Reference,0.0,0.0,2.0,12.0,0.0,7.63,-4.66,CN1C[C@@H]2c3ccccc3Oc3ccc(Cl)cc3[C@H]2C1
1495,ZINC000000896663,2005-09-27,In-Stock,2015-08-07,133.194,1.501,C9H11N,2,10,1,0.33,ADAA,Reference,1.0,1.0,0.0,27.0,1.0,3.92,-43.27,N[C@H]1C[C@@H]1c1ccccc1
1496,ZINC000000537822,2005-09-27,In-Stock,2015-08-07,375.871,4.426,C21H23ClFNO2,3,26,5,0.38,GIAA,Reference,1.0,2.0,2.0,41.0,6.0,10.73,-49.67,O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
1497,ZINC000000056647,2005-09-30,In-Stock,2015-08-07,284.428,4.239,C17H20N2S,3,20,3,0.29,CIAA,Reference,1.0,1.0,2.0,7.0,3.0,10.88,-39.43,C[C@H](CN1c2ccccc2Sc2ccccc21)N(C)C
1498,ZINC000003875392,2005-10-05,In-Stock,2015-08-07,317.429,3.238,C19H27NO3,3,23,4,0.63,DGAA,Reference,1.0,0.0,4.0,38.0,4.0,8.76,-56.1,COc1cc2c(cc1OC)[C@@H]1CC(=O)[C@H](CC(C)C)CN1CC2
1499,ZINC000013540519,2008-06-21,In-Stock,2015-08-07,362.466,1.782,C21H30O5,4,26,5,0.81,FDEA,Reference,0.0,3.0,5.0,94.0,2.0,3.28,-14.19,C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO
1500,ZINC000000896819,2005-09-30,In-Stock,2015-08-07,272.37,1.09,C12H20N2O3S,1,18,6,0.5,CDAA,Reference,1.0,3.0,3.0,83.0,6.0,0.22,-47.51,CC(C)NC[C@H](O)c1ccc(NS(C)(=O)=O)cc1
1501,ZINC000003807804,2005-09-27,In-Stock,2015-08-07,344.845,5.377,C22H17ClN2,4,25,3,0.05,EKAA,Reference,0.0,0.0,2.0,17.0,4.0,12.86,-6.07,Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1
1502,ZINC000009224016,2007-08-15,In-Stock,2015-08-07,211.224,1.617,C12H9N3O,2,16,4,0.08,BDEA,Reference,0.0,1.0,3.0,69.0,1.0,4.19,-16.06,Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1
1503,ZINC000000001773,2004-10-10,In-Stock,2015-08-07,341.407,1.525,C20H23NO4,6,25,5,0.65,EDAA,Reference,1.0,3.0,4.0,71.0,2.0,5.05,-59.5,O=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5
1504,ZINC000085540223,2013-02-19,In-Stock,2015-08-08,791.115,-0.988,C18H24I3N3O8,1,32,14,0.5,KBAB,Reference,0.0,7.0,8.0,179.0,11.0,-6.88,-16.83,CC(=O)N(C[C@@H](O)CO)c1c(I)c(C(=O)NCCO)c(I)c(C(=O)NC[C@@H](O)CO)c1I
1505,ZINC000003989268,2005-10-30,In-Stock,2015-08-07,685.708,1.22,C22H22N8O8PS4+,5,43,21,0.27,KDEA,Reference,-3.0,1.0,17.0,235.0,10.0,6.3,-321.83,CCO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Sc3nc(-c4cc[n+](C)cc4)cs3)CS[C@H]12)c1nsc(NP(=O)(O)O)n1
1506,ZINC000100003201,2015-08-08,In-Stock,2015-08-08,179.307,2.694,C12H21N,4,13,1,1.0,AFAA,,,,,,,,,C[C@]12CC3CC(N)(C1)C[C@](C)(C3)C2
1507,ZINC000001530659,2004-10-06,In-Stock,2015-08-07,261.089,1.884,C7H15Cl2N2O2P,1,14,7,1.0,CDGA,,,,,,,,,O=[P@@]1(NCCCl)OCCCN1CCCl
1508,ZINC000001633889,2004-10-07,In-Stock,2015-08-07,290.403,4.468,C18H26O3,1,21,3,0.5,CIAA,Reference,0.0,0.0,3.0,35.0,9.0,10.91,-6.19,CCCC[C@H](CC)COC(=O)/C=C/c1ccc(OC)cc1
1509,ZINC000095616599,2014-01-13,In-Stock,2015-08-08,387.44,1.057,C19H25N5O4,4,28,9,0.53,GDAA,Reference,0.0,1.0,8.0,103.0,4.0,5.71,-19.72,COc1cc2nc(N3CCN(C(=O)[C@@H]4CCCO4)CC3)nc(N)c2cc1OC
1510,ZINC000001530570,2004-10-06,In-Stock,2015-08-07,325.449,2.366,C18H31NO4,1,23,5,0.67,EEAA,Reference,1.0,2.0,4.0,64.0,12.0,4.8,-43.61,CC(C)NC[C@@H](O)COc1ccc(COCCOC(C)C)cc1
1511,ZINC000009212427,2007-08-14,In-Stock,2015-08-07,473.446,-0.731,C20H23N7O7,3,34,14,0.3,JBAA,Reference,-2.0,5.0,11.0,225.0,10.0,4.16,-140.44,Nc1nc2c(c(=O)[nH]1)N(C=O)[C@@H](CNc1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)CN2
1512,ZINC000068247389,2011-09-30,In-Stock,2015-08-08,480.529,1.237,C23H28N8O4,5,35,12,0.43,JDEA,Reference,0.0,2.0,11.0,139.0,7.0,6.08,-21.21,COc1c(OCCCN2CCOCC2)ccc2c1N=C(/N=C(\O)c1cnc(N)nc1)N1CCN=C21
1513,ZINC000002020233,2004-10-10,In-Stock,2015-08-07,315.678,4.073,C14H9ClF3NO2,3,21,7,0.36,DIEA,Reference,0.0,1.0,2.0,38.0,0.0,7.45,-10.12,O=C1Nc2ccc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1
1514,ZINC000000403566,2004-07-24,In-Stock,2015-08-07,312.413,2.535,C19H24N2O2,4,23,4,0.58,DFAA,Reference,0.0,0.0,2.0,40.0,1.0,8.66,-8.3,O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3[C@H]2C1
1515,ZINC000256097227,2016-02-16,For-Sale,2018-02-24,806.937,-2.156,C36H70O19,2,55,19,1.0,KAAE,,,,,,,,,C[C@H](O)COC[C@@H]1O[C@@H](OC[C@H](C)O)[C@H](OC[C@H](C)O)[C@H](OC[C@H](C)O)[C@@H]1O[C@H]1O[C@@H](COC[C@@H](C)O)[C@H](OC[C@H](C)O)[C@@H](OC[C@H](C)O)[C@@H]1OC[C@H](C)O
1516,ZINC000000403618,2005-10-05,In-Stock,2015-08-07,129.159,0.365,C6H11NO2,0,9,3,0.5,ACEA,Reference,0.0,1.0,2.0,67.0,4.0,2.24,-58.2,C=C[C@H](N)CCC(=O)O
1517,ZINC000084757007,2013-02-06,In-Stock,2015-08-08,404.289,4.237,C17H14BrN3O2S,4,24,7,0.24,HIAA,Reference,-1.0,0.0,6.0,70.0,5.0,13.2,-47.24,O=C(O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12
1518,ZINC000000002688,2005-09-26,In-Stock,2015-08-07,324.38,2.519,C19H20N2O3,6,24,5,0.47,DFAB,Reference,0.0,1.0,4.0,62.0,2.0,7.12,-12.38,O=C(OC1C[C@@H]2CC3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12
1519,ZINC000004235575,2005-11-16,In-Stock,2015-08-07,385.575,5.954,C27H33N2+,3,29,2,0.3,GKEA,,,,,,,,,CCN(CC)c1ccc(C(=C2C=CC(=[N+](CC)CC)C=C2)c2ccccc2)cc1
1520,ZINC000001536109,2005-10-20,In-Stock,2015-08-07,477.481,0.982,C23H23N7O5,3,35,12,0.26,JCEA,Reference,-2.0,3.0,11.0,212.0,10.0,8.64,-123.05,C#CC[C@@H](Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1
1521,ZINC000095616937,2014-01-13,In-Stock,2015-08-08,493.585,4.024,C26H27N3O5S,4,35,9,0.23,JIAA,Reference,0.0,2.0,6.0,110.0,5.0,8.3,-20.55,COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C
1522,ZINC000002548959,2004-10-27,In-Stock,2015-08-07,216.192,2.548,C12H8O4,3,16,4,0.08,BFAA,Reference,0.0,0.0,4.0,52.0,1.0,6.09,-16.46,COc1c2occc2cc2ccc(=O)oc12
1523,ZINC000000508068,2005-09-30,In-Stock,2015-08-07,240.35,3.165,C16H20N2,2,18,2,0.31,BGAA,Reference,1.0,1.0,1.0,17.0,5.0,9.27,-38.88,CN(C)CC[C@H](c1ccccc1)c1ccccn1
1524,ZINC000085540215,2013-02-19,In-Stock,2015-08-08,791.115,-0.988,C18H24I3N3O8,1,32,14,0.5,KBAB,Reference,0.0,7.0,8.0,179.0,11.0,-6.83,-16.72,CC(=O)N(C[C@@H](O)CO)c1c(I)c(C(=O)NCCO)c(I)c(C(=O)NC[C@H](O)CO)c1I
1525,ZINC000003784120,2005-09-26,In-Stock,2015-08-07,360.494,3.541,C22H32O4,2,26,4,0.68,FHEA,Reference,-1.0,2.0,4.0,80.0,8.0,9.37,-48.32,CC#CC[C@@H](C)[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)O)C[C@H]2C[C@H]1O
1526,ZINC000169946773,2015-08-08,In-Stock,2015-08-08,361.034,1.266,C14H19BCl2N2O4,1,23,9,0.43,FDGA,,,,,,,,,CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O
1527,ZINC000001530803,2004-10-06,In-Stock,2015-08-07,238.243,0.961,C11H14N2O4,1,17,6,0.27,BCAA,Reference,0.0,2.0,4.0,104.0,5.0,-1.15,-12.81,NC(=O)OCC(COC(N)=O)c1ccccc1
1528,ZINC000019796168,2008-11-10,In-Stock,2015-08-07,474.587,1.611,C22H30N6O4S,4,33,11,0.5,JDAA,Reference,0.0,1.0,8.0,113.0,7.0,4.44,-14.91,CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12
1529,ZINC000252679615,2016-02-05,In-Stock,2016-03-02,314.257,1.945,C14H10N4O5,3,23,9,0.07,DDEA,Reference,0.0,1.0,6.0,118.0,4.0,4.42,-23.55,O=C1CN(N=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(O)=N1
1530,ZINC000008214651,2006-07-04,In-Stock,2015-08-07,188.017,2.746,C3F8,0,11,8,1.0,AFEA,Reference,0.0,0.0,0.0,0.0,0.0,3.8,-0.37,FC(F)(F)C(F)(F)C(F)(F)F
1531,ZINC000006827695,2006-04-26,In-Stock,2016-02-24,177.973,-0.812,H4O7P2,0,9,9,0.0,ABAA,Reference,-3.0,1.0,6.0,132.0,2.0,-2.4,-226.83,O=P(O)(O)OP(=O)(O)O
1532,ZINC000100052691,2015-08-08,Annotated,2016-03-05,478.629,4.883,C30H38O5,3,35,5,0.53,JJEF,,,,,,,,,CC#CC[C@H](C)[C@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@H]2C/C(=C/CCCC(=O)OCC(=O)c3ccccc3)C[C@H]21
1533,ZINC000003927870,2005-10-20,In-Stock,2015-08-07,365.214,-1.724,C10H13FN5O7P,3,24,14,0.5,FAAA,Reference,-2.0,3.0,12.0,191.0,4.0,-3.94,-139.59,Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O
1534,ZINC000003926298,2005-10-20,In-Stock,2015-08-07,606.782,8.683,C32H47F5O3S,4,41,9,0.81,KKAA,Reference,0.0,2.0,3.0,57.0,14.0,13.6,-17.53,C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCC[S@](=O)CCCC(F)(F)C(F)(F)F)[C@H]3[C@@H]1CC[C@@H]2O
1535,ZINC000003806262,2005-09-26,In-Stock,2015-08-07,268.273,-1.18,C11H16N4O4,3,19,8,0.64,CAAA,Reference,1.0,4.0,8.0,112.0,2.0,-4.4,-33.71,OC[C@H]1O[C@@H](n2cnc3c2N=CNC[C@H]3O)C[C@@H]1O
1536,ZINC000253387843,2016-02-05,In-Stock,2016-02-27,924.091,0.712,C47H73NO17,3,65,18,0.66,KCBA,,,,,,,,,C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@H](C)[C@@H](O)[C@H]1C)O2
1537,ZINC000000057522,2004-07-23,In-Stock,2015-08-07,307.418,4.948,C19H17NOS,3,22,3,0.11,DJAA,Reference,0.0,0.0,2.0,12.0,2.0,11.78,-10.67,Cc1cccc(N(C)C(=S)Oc2ccc3ccccc3c2)c1
1538,ZINC000004083606,2005-11-06,In-Stock,2015-08-07,428.613,5.97,C27H40O4,4,31,4,0.81,IKEA,Reference,0.0,0.0,4.0,60.0,6.0,14.39,-13.88,CCCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
1539,ZINC000000000416,2005-09-27,In-Stock,2015-08-07,328.412,2.135,C19H24N2O3,2,24,5,0.32,EEAA,Reference,1.0,4.0,3.0,100.0,8.0,3.41,-60.12,C[C@H](CCc1ccccc1)NC[C@@H](O)c1ccc(O)c(C(N)=O)c1
1540,ZINC000003875259,2005-10-05,In-Stock,2015-08-07,435.528,4.162,C24H29N5O3,3,32,8,0.38,IIAA,Reference,-2.0,0.0,6.0,113.0,10.0,13.39,-99.36,CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[C@H](C(=O)O)C(C)C
1541,ZINC000003830215,2005-09-30,In-Stock,2015-08-07,365.411,0.024,C16H19N3O5S,3,25,9,0.44,FCAA,Reference,-1.0,3.0,7.0,135.0,4.0,-0.81,-52.05,CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O
1542,ZINC000003831404,2005-09-30,In-Stock,2015-08-07,324.424,3.173,C20H24N2O2,5,24,4,0.45,DGEA,Reference,1.0,2.0,3.0,46.0,4.0,7.18,-40.35,C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12
1543,ZINC000012404516,2008-05-12,In-Stock,2015-08-07,405.969,6.215,C26H28ClNO,3,29,3,0.23,HKGA,Reference,1.0,1.0,1.0,13.0,9.0,16.37,-36.6,CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1
1544,ZINC000000001084,2004-07-23,In-Stock,2015-08-07,194.194,-1.029,C8H10N4O2,2,14,6,0.38,AAAA,Reference,0.0,0.0,6.0,61.0,0.0,4.91,-11.44,Cn1c(=O)c2c(ncn2C)n(C)c1=O
1545,ZINC000000044027,2005-09-26,In-Stock,2015-08-07,318.873,4.894,C17H19ClN2S,3,21,4,0.29,DJAA,Reference,1.0,1.0,2.0,7.0,4.0,11.53,-43.43,CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc21
1546,ZINC000000002647,2004-07-23,In-Stock,2015-08-07,206.285,3.073,C13H18O2,1,15,2,0.46,BGAA,Reference,-1.0,0.0,2.0,40.0,4.0,9.05,-46.72,CC(C)Cc1ccc([C@H](C)C(=O)O)cc1
1547,ZINC000000121480,2004-07-23,In-Stock,2015-08-07,315.587,5.291,C13H9Cl3N2O,2,19,6,0.0,DKAA,Reference,0.0,2.0,1.0,41.0,2.0,7.23,-10.94,O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1
1548,ZINC000018279893,2008-10-05,In-Stock,2015-08-07,182.172,-3.585,C6H14O6,0,12,6,1.0,AAAA,,,,,,,,,OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
1549,ZINC000252286877,2016-02-05,In-Stock,2016-02-26,926.107,0.778,C47H75NO17,2,65,18,0.68,KCAB,,,,,,,,,C[C@@H]1/C=C/C=C/CC/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C[C@H](O)[C@H](C(=O)O)[C@H](O)CC(=O)C[C@H](O)[C@H](O)CC[C@H](O)C[C@H](O)C[C@H](O)CC(=O)O[C@H](C)[C@H](C)[C@H]1O
1550,ZINC000003830716,2005-09-30,In-Stock,2015-08-07,452.598,5.483,C30H32N2O2,4,34,4,0.33,JKEA,Reference,1.0,1.0,3.0,54.0,8.0,17.36,-50.92,CCOC(=O)C1(c2ccccc2)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1
1551,ZINC000000057534,2005-10-05,In-Stock,2015-08-07,244.382,3.145,C16H24N2,2,18,2,0.56,BGAA,Reference,1.0,2.0,1.0,26.0,2.0,7.79,-30.4,Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1
1552,ZINC000043763856,2010-05-19,In-Stock,2015-08-07,167.296,2.421,C11H21N,2,12,1,1.0,AEAB,Reference,1.0,1.0,0.0,16.0,1.0,5.57,-33.64,CN[C@@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C
1553,ZINC000084668739,2013-02-04,In-Stock,2016-03-01,615.491,4.767,C29H24Cl2N2O7S,5,41,12,0.21,KJAA,Reference,-1.0,1.0,7.0,136.0,7.0,10.96,-70.21,CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc4ccoc4c2)C3)C(=O)O)c1
1554,ZINC000000005878,2005-09-26,In-Stock,2015-08-07,122.127,0.181,C6H6N2O,1,9,3,0.0,ACAA,Reference,0.0,1.0,2.0,55.0,1.0,-0.5,-8.63,NC(=O)c1cccnc1
1555,ZINC000001530638,2004-10-06,In-Stock,2015-08-07,309.331,4.435,C17H18F3NO,2,22,5,0.29,DIAA,Reference,1.0,1.0,1.0,25.0,6.0,9.42,-44.14,CNCC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1
1556,ZINC000004693575,2005-12-30,In-Stock,2015-08-07,345.424,2.9,C17H19N3O3S,3,24,7,0.29,EFAA,Reference,0.0,1.0,5.0,77.0,5.0,3.78,-12.71,COc1ccc2nc([S@@](=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1
1557,ZINC000000004785,2005-09-26,In-Stock,2015-08-07,236.274,3.387,C15H12N2O,3,18,3,0.0,BGAA,Reference,0.0,1.0,1.0,46.0,0.0,6.83,-10.46,NC(=O)N1c2ccccc2C=Cc2ccccc21
1558,ZINC000000001587,2005-09-27,In-Stock,2015-08-07,231.255,1.418,C12H13N3O2,2,17,5,0.17,BDGA,Reference,0.0,2.0,4.0,67.0,4.0,4.22,-8.47,Cc1cc(C(=O)NNCc2ccccc2)no1
1559,ZINC000001530950,2004-10-06,In-Stock,2015-08-07,260.334,2.023,C12H24N2O4,0,18,6,0.83,CEAA,Reference,0.0,2.0,4.0,90.0,7.0,1.01,-10.37,CCC[C@@](C)(COC(N)=O)COC(=O)NC(C)C
1560,ZINC000100001965,2015-08-08,In-Stock,2015-08-08,408.882,2.266,C20H25ClN2O5,2,28,8,0.4,HEAA,Reference,1.0,2.0,6.0,101.0,8.0,7.61,-60.75,CCOC(=O)C1=C(COCCN)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1Cl
1561,ZINC000003814422,2005-09-29,In-Stock,2015-08-07,302.458,4.269,C20H30O2,4,22,2,0.85,DIEA,Reference,0.0,1.0,2.0,37.0,0.0,7.55,-7.01,C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
1562,ZINC000085537017,2013-02-19,In-Stock,2015-08-08,776.366,2.851,C17H25Cl2F3N5O12P3S2,3,44,27,0.71,KFAA,Reference,-4.0,3.0,19.0,267.0,15.0,4.11,-356.86,CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)O[P@](=O)(O)C(Cl)(Cl)P(=O)(O)O)[C@@H](O)[C@H]1O
1563,ZINC000204073689,2015-08-08,In-Stock,2017-03-16,492.591,5.63,C29H33FN2O4,5,36,7,0.48,JKAB,,,,,,,,,CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C\c1ccc(-c2cccc(F)c2)cn1
1564,ZINC000003830891,2005-09-30,In-Stock,2015-08-07,307.328,-2.206,C10H17N3O6S,0,20,10,0.6,DAEA,Reference,-1.0,4.0,7.0,166.0,9.0,-0.38,-80.04,N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O
1565,ZINC000245204924,2016-02-05,In-Stock,2016-02-25,290.832,3.644,C6H6Cl6,1,12,6,1.0,CHGA,,,,,,,,,Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl
1566,ZINC000000389149,2005-11-07,In-Stock,2015-08-07,309.406,2.275,C17H27NO4,1,22,5,0.59,DEAA,Reference,1.0,2.0,4.0,72.0,7.0,6.27,-46.16,CC(=O)Oc1c(C)cc(OC[C@@H](O)CNC(C)C)c(C)c1C
1567,ZINC000000002041,2005-09-29,In-Stock,2015-08-07,260.381,2.846,C16H24N2O,2,19,3,0.56,CFAA,Reference,1.0,2.0,1.0,33.0,7.0,8.53,-44.24,CCCN(CCC)CCc1cccc2c1CC(=O)N2
1568,ZINC000001999487,2004-10-10,In-Stock,2015-08-07,249.317,2.467,C16H15N3,4,19,3,0.19,BEAA,Reference,1.0,2.0,0.0,40.0,0.0,9.24,-28.61,NC1=NC[C@H]2c3ccccc3Cc3ccccc3N12
1569,ZINC000000001728,2005-09-27,In-Stock,2015-08-07,226.279,2.637,C14H14N2O,2,17,3,0.21,BFAA,Reference,0.0,0.0,3.0,42.0,3.0,5.35,-9.29,CC(C)(C(=O)c1cccnc1)c1cccnc1
1570,ZINC000019594599,2008-11-04,In-Stock,2015-08-07,263.793,3.96,C14H14ClNS,3,17,3,0.29,CHAA,Reference,1.0,0.0,2.0,3.0,2.0,10.02,-35.23,Clc1ccccc1CN1CCc2sccc2C1
1571,ZINC000007997897,2006-06-27,In-Stock,2015-08-07,287.406,4.985,C21H21N,3,22,1,0.14,CJAB,Reference,1.0,1.0,0.0,4.0,5.0,13.36,-37.25,CN(C/C=C\c1ccccc1)Cc1cccc2ccccc12
1572,ZINC000012661824,2008-05-20,In-Stock,2015-08-07,300.442,5.603,C20H28O2,1,22,2,0.45,DKAA,Reference,-1.0,0.0,2.0,40.0,5.0,11.57,-54.62,CC1=C(/C=C/C(C)=C\C=C\C(C)=C\C(=O)O)C(C)(C)CCC1
1573,ZINC000003798247,2005-09-26,In-Stock,2015-08-07,303.681,-0.349,C10H11ClFN5O3,3,20,10,0.5,DBAA,Reference,0.0,3.0,8.0,119.0,2.0,-1.98,-11.62,Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F
1574,ZINC000001530751,2004-10-06,In-Stock,2015-08-07,357.494,3.343,C22H31NO3,2,26,4,0.59,FGEA,Reference,1.0,2.0,3.0,50.0,7.0,11.81,-37.56,CCN(CC)CC#CCOC(=O)[C@@](O)(c1ccccc1)C1CCCCC1
1575,ZINC000029319828,2009-03-12,In-Stock,2015-08-07,424.522,4.744,C23H24N2O4S,3,30,7,0.26,HJAA,Reference,-2.0,0.0,7.0,98.0,10.0,12.88,-113.94,CCCCc1ncc(/C=C(\Cc2cccs2)C(=O)O)n1Cc1ccc(C(=O)O)cc1
1576,ZINC000003812974,2005-09-27,In-Stock,2015-08-07,309.406,0.635,C17H27NO4,2,22,5,0.65,DCAA,Reference,1.0,4.0,4.0,86.0,5.0,-0.45,-42.78,CC(C)(C)NC[C@@H](O)COc1cccc2c1C[C@H](O)[C@H](O)C2
1577,ZINC000245189278,2016-02-03,In-Stock,2016-02-25,61.833,-2.052,H3BO3,0,4,4,0.0,AAAA,,,,,,,,,OB(O)O
1578,ZINC000000000882,2004-07-23,In-Stock,2015-08-07,135.13,-0.065,C5H5N5,2,10,5,0.0,ABAA,Reference,0.0,2.0,4.0,80.0,0.0,1.94,-14.43,Nc1ncnc2[nH]cnc12
1579,ZINC000012503076,2008-05-16,In-Stock,2015-08-07,203.285,2.924,C13H17NO,1,15,2,0.31,BFAA,Reference,0.0,0.0,1.0,20.0,3.0,8.3,-8.09,C/C=C\C(=O)N(CC)c1ccccc1C
1580,ZINC000000896546,2004-07-28,In-Stock,2015-08-07,129.094,-0.509,C4H4FN3O,1,9,5,0.0,ABAA,Reference,0.0,2.0,3.0,71.0,0.0,-1.86,-13.95,Nc1nc(=O)[nH]cc1F
1581,ZINC000001493878,2004-08-19,In-Stock,2015-08-07,464.831,5.55,C21H16ClF3N4O3,3,32,11,0.1,JKAA,Reference,0.0,3.0,4.0,92.0,5.0,6.55,-16.12,CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1
1582,ZINC000003979899,2005-10-28,In-Stock,2015-08-07,212.293,0.899,C11H20N2O2,1,15,4,0.82,BCAA,Reference,0.0,1.0,2.0,63.0,5.0,4.07,-15.6,CCC[C@@H]1CC(=O)N([C@@H](CC)C(N)=O)C1
1583,ZINC000000000494,2005-11-07,In-Stock,2015-08-07,309.406,2.275,C17H27NO4,1,22,5,0.59,DEAA,Reference,1.0,2.0,4.0,72.0,7.0,6.25,-46.47,CC(=O)Oc1c(C)cc(OC[C@H](O)CNC(C)C)c(C)c1C
1584,ZINC000012503099,2008-05-16,In-Stock,2015-08-07,278.399,3.918,C19H22N2,3,21,2,0.32,CHAA,Reference,1.0,1.0,1.0,17.0,4.0,11.37,-39.06,Cc1ccc(/C(=C\CN2CCCC2)c2ccccn2)cc1
1585,ZINC000000643055,2004-07-25,In-Stock,2015-08-07,381.69,5.801,C18H15Cl3N2O,3,24,6,0.17,GKAA,Reference,0.0,0.0,3.0,27.0,6.0,12.27,-5.58,Clc1ccc(CO[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1
1586,ZINC000000056427,2005-10-04,In-Stock,2015-08-07,203.285,2.924,C13H17NO,1,15,2,0.31,BFAA,Reference,0.0,0.0,1.0,20.0,3.0,8.27,-9.08,C/C=C/C(=O)N(CC)c1ccccc1C
1587,ZINC000001530706,2004-10-06,In-Stock,2015-08-07,309.453,4.292,C21H27NO,2,23,2,0.38,DIAA,Reference,1.0,1.0,1.0,21.0,7.0,11.61,-43.86,CCC(=O)C(C[C@@H](C)N(C)C)(c1ccccc1)c1ccccc1
1588,ZINC000003938746,2005-10-21,In-Stock,2015-08-07,608.688,4.171,C33H40N2O9,6,44,11,0.52,KIAA,Reference,0.0,1.0,10.0,117.0,8.0,9.58,-13.12,COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC
1589,ZINC000003930376,2005-10-20,In-Stock,2015-08-07,501.477,2.703,C20H32N5O8P,2,34,14,0.65,KFAA,Reference,0.0,1.0,13.0,166.0,11.0,10.04,-16.94,CC(C)(C)C(=O)OCOP(=O)(COCCn1cnc2c(N)ncnc21)OCOC(=O)C(C)(C)C
1590,ZINC000013585233,2008-06-22,In-Stock,2015-08-07,241.251,-1.7,C9H15N5O3,2,17,8,0.56,BAAA,Reference,0.0,6.0,7.0,136.0,2.0,-5.1,-21.9,C[C@H](O)[C@H](O)[C@H]1CNc2nc(N)[nH]c(=O)c2N1
1591,ZINC000096903163,2014-05-30,In-Stock,2015-08-08,522.638,5.239,C31H38O7,4,38,7,0.55,KKEB,Reference,0.0,0.0,7.0,95.0,4.0,17.81,-14.48,C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](OC(=O)c4ccccc4)[C@@H]3[C@H]1OC(C)=O)C2(C)C
1592,ZINC000003806063,2005-09-26,In-Stock,2015-08-07,495.542,3.071,C25H32F3N3O4,3,35,10,0.48,JGAA,Reference,1.0,3.0,5.0,101.0,13.0,6.4,-50.44,C[C@H](Cc1cc2c(c(C(N)=O)c1)N(CCCO)CC2)NCCOc1ccccc1OCC(F)(F)F
1593,ZINC000001611274,2005-09-26,In-Stock,2015-08-07,421.453,1.847,C23H23N3O5,5,31,8,0.35,HDCA,Reference,1.0,3.0,7.0,106.0,3.0,5.49,-55.95,CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1
1594,ZINC000003801163,2005-09-26,In-Stock,2015-08-07,438.524,2.567,C25H30N2O5,3,32,7,0.4,IFAA,Reference,-1.0,1.0,6.0,98.0,9.0,13.13,-69.15,CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O
1595,ZINC000003831490,2005-09-30,In-Stock,2015-08-07,398.4,3.702,C18H14N4O5S,3,28,10,0.0,GHCA,Reference,-2.0,1.0,8.0,142.0,6.0,6.76,-113.12,O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O
1596,ZINC000028973446,2009-03-09,For-Sale,2015-08-07,314.728,2.583,C16H11ClN2O3,3,22,6,0.06,DFAE,Reference,-1.0,1.0,4.0,81.0,2.0,5.52,-48.3,O=C(O)[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O
1597,ZINC000008214692,2006-07-04,In-Stock,2015-08-07,467.52,-6.296,C18H37N5O9,3,32,14,1.0,JAAA,Reference,5.0,10.0,9.0,276.0,6.0,-18.5,-416.15,NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](N)C[C@@H]1O
1598,ZINC000118912450,2015-08-08,In-Stock,2015-08-08,332.484,4.401,C21H32O3,4,24,3,0.86,EIEA,Reference,0.0,2.0,3.0,57.0,1.0,5.42,-11.89,C[C@]12C/C(=C/O)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O
1599,ZINC000003925861,2005-10-20,In-Stock,2015-08-07,492.591,5.63,C29H33FN2O4,5,36,7,0.48,JKAA,Reference,0.0,1.0,5.0,77.0,5.0,13.2,-16.12,CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1
1600,ZINC000001530710,2004-10-06,In-Stock,2015-08-07,143.142,0.374,C6H9NO3,1,10,4,0.67,ACAA,Reference,0.0,0.0,3.0,46.0,0.0,1.95,-6.3,CN1C(=O)OC(C)(C)C1=O
1601,ZINC000005029557,2006-01-17,In-Stock,2015-08-07,386.532,4.655,C24H34O4,4,28,4,0.79,GJEA,Reference,0.0,0.0,4.0,60.0,2.0,11.78,-14.22,CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
1602,ZINC000000968301,2004-08-06,In-Stock,2015-08-07,318.437,2.456,C19H28NO3+,3,23,4,0.63,DEBA,Reference,1.0,1.0,3.0,46.0,4.0,10.75,-35.15,C[N+]1(C)CC[C@@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1
1603,ZINC000003817234,2005-09-29,In-Stock,2015-08-07,513.677,5.951,C29H41F2N5O,5,37,8,0.69,KKAB,Reference,1.0,2.0,4.0,64.0,8.0,11.55,-67.78,Cc1nnc(C(C)C)n1C1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1
1604,ZINC000169621220,2015-08-08,For-Sale,2016-02-28,665.733,0.12,C33H47NO13,4,47,14,0.64,KCAE,Reference,0.0,6.0,13.0,235.0,3.0,1.39,-58.46,C[C@@H]1C/C=C/C=C/C=C/C=C/[C@H](O[C@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)C[C@H]3O[C@@H]3/C=C/C(=O)O1)C[C@H](O)[C@H]2C(=O)O
1605,ZINC000000001505,2005-09-26,In-Stock,2015-08-07,255.234,-1.971,C9H13N5O4,2,18,9,0.44,CAAA,Reference,0.0,4.0,8.0,139.0,5.0,-1.32,-22.14,Nc1nc2c(ncn2COC(CO)CO)c(=O)[nH]1
1606,ZINC000100015048,2015-08-08,In-Stock,2015-08-08,416.646,5.705,C27H44O3,3,30,3,0.78,HKEA,Reference,0.0,3.0,3.0,60.0,6.0,6.98,-5.58,C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](O)C[C@@H]1O
1607,ZINC000043207237,2010-05-09,For-Sale,2018-06-01,360.429,3.675,C20H25FN2O3,2,26,6,0.35,FHAE,,,,,,,,,CNc1ccc(/C=C/c2ccc(OCCOCCOCCF)nc2)cc1
1608,ZINC000095551509,2014-01-01,In-Stock,2016-03-01,766.918,4.142,C38H50N6O9S,7,54,16,0.63,KIEA,Reference,-1.0,2.0,11.0,197.0,7.0,7.1,-67.77,C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)/C(O)=N/S(=O)(=O)C1CC1
1609,ZINC000003830405,2005-09-30,In-Stock,2015-08-07,454.519,-0.636,C14H14N8O4S3,4,29,15,0.43,JBAA,Reference,-1.0,1.0,13.0,158.0,7.0,4.53,-77.76,Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4cnnn4)[C@H]3SC2)s1
1610,ZINC000000114127,2005-10-03,In-Stock,2015-08-07,149.215,0.107,C5H11NO2S,0,9,4,0.8,ACEA,Reference,0.0,2.0,3.0,67.0,2.0,1.59,-30.39,CC(C)(S)[C@@H](N)C(=O)O
1611,ZINC000245204949,2016-02-05,In-Stock,2016-02-25,356.442,1.67,C21H26NO4+,6,26,5,0.67,FDBA,Reference,1.0,2.0,4.0,66.0,2.0,6.42,-51.41,C[N@+]1(CC2CC2)CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5
1612,ZINC000036520252,2009-11-06,In-Stock,2015-08-07,450.915,1.613,C23H27ClO7,4,31,8,0.48,JDAA,Reference,0.0,4.0,7.0,108.0,6.0,-0.56,-11.69,OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O
1613,ZINC000100016058,2015-08-08,In-Stock,2015-08-08,602.675,7.326,C31H33F3N2O5S,4,42,11,0.35,KKAA,Reference,-1.0,0.0,6.0,104.0,11.0,13.93,-57.36,CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1
1614,ZINC000003830813,2005-09-30,In-Stock,2015-08-07,206.027,-0.992,C2H8O7P2,0,11,9,1.0,BBAA,High pH (8.4),-4.0,1.0,7.0,146.0,2.0,-4.24,-364.23,CC(O)(P(=O)(O)O)P(=O)(O)O