smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(c1ccc(OCC(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1)S(=O)(=O)c1cccs1 ZINC000514291053 1066328696 /nfs/dbraw/zinc/32/86/96/1066328696.db2.gz BKNPGMITBCNFFA-NRFANRHFSA-N 0 1 503.646 3.888 20 0 KHADMN CN(c1ccc(OCC(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1)S(=O)(=O)c1cccs1 ZINC000514291059 1066328727 /nfs/dbraw/zinc/32/87/27/1066328727.db2.gz BKNPGMITBCNFFA-OAQYLSRUSA-N 0 1 503.646 3.888 20 0 KHADMN COc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1C ZINC000514291248 1066361585 /nfs/dbraw/zinc/36/15/85/1066361585.db2.gz CGJDDGPIFYRYQY-CYFREDJKSA-N 0 1 514.692 3.865 20 0 KHADMN COc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1C ZINC000514291251 1066361646 /nfs/dbraw/zinc/36/16/46/1066361646.db2.gz CGJDDGPIFYRYQY-DVECYGJZSA-N 0 1 514.692 3.865 20 0 KHADMN COc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1C ZINC000514291252 1066361512 /nfs/dbraw/zinc/36/15/12/1066361512.db2.gz CGJDDGPIFYRYQY-NTKDMRAZSA-N 0 1 514.692 3.865 20 0 KHADMN COc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1C ZINC000514291253 1066328351 /nfs/dbraw/zinc/32/83/51/1066328351.db2.gz CGJDDGPIFYRYQY-YADARESESA-N 0 1 514.692 3.865 20 0 KHADMN CCCn1c(CCC(=O)NC[C@@H](c2ccco2)N2CCCC2)nc2cc(S(=O)(=O)N(CC)CC)ccc21 ZINC000514291715 1066363595 /nfs/dbraw/zinc/36/35/95/1066363595.db2.gz GAARLDRUTKNWIN-DEOSSOPVSA-N 0 1 529.707 3.956 20 0 KHADMN CCCn1c(CCC(=O)NC[C@H](c2ccco2)N2CCCC2)nc2cc(S(=O)(=O)N(CC)CC)ccc21 ZINC000514291716 1066363714 /nfs/dbraw/zinc/36/37/14/1066363714.db2.gz GAARLDRUTKNWIN-XMMPIXPASA-N 0 1 529.707 3.956 20 0 KHADMN CCCCn1c(CCC(=O)NC[C@H](c2ccco2)N2CCCC2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000514291750 1066364065 /nfs/dbraw/zinc/36/40/65/1066364065.db2.gz HBKTZKQYPOHBOV-HSZRJFAPSA-N 0 1 515.680 3.566 20 0 KHADMN CCCCn1c(CCC(=O)NC[C@@H](c2ccco2)N2CCCC2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000514291751 1066363880 /nfs/dbraw/zinc/36/38/80/1066363880.db2.gz HBKTZKQYPOHBOV-QHCPKHFHSA-N 0 1 515.680 3.566 20 0 KHADMN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(N2CCN(C)CC2)cc1C ZINC000514292224 1066366080 /nfs/dbraw/zinc/36/60/80/1066366080.db2.gz IRFGPMYUBDTJQA-UHFFFAOYSA-N 0 1 500.665 3.572 20 0 KHADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000514292268 1066365981 /nfs/dbraw/zinc/36/59/81/1066365981.db2.gz JXYPEMKHTITUSX-UHFFFAOYSA-N 0 1 524.609 3.805 20 0 KHADMN CN(C)[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)c1cccc(F)c1 ZINC000514292407 1066330328 /nfs/dbraw/zinc/33/03/28/1066330328.db2.gz LCKPUPWFPCIOME-FQEVSTJZSA-N 0 1 501.546 3.664 20 0 KHADMN CN(C)[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)c1cccc(F)c1 ZINC000514292415 1066330075 /nfs/dbraw/zinc/33/00/75/1066330075.db2.gz LCKPUPWFPCIOME-HXUWFJFHSA-N 0 1 501.546 3.664 20 0 KHADMN Cc1[nH]c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)nc1Cc1ccccc1 ZINC000514292466 1066334649 /nfs/dbraw/zinc/33/46/49/1066334649.db2.gz MTBPBCJSARYTFK-UHFFFAOYSA-N 0 1 555.726 3.661 20 0 KHADMN CCCCn1c2nc(CCC(=O)NC[C@@H](c3ccco3)N3CCCCC3)n(CC(C)C)c2c(=O)[nH]c1=O ZINC000514292725 1066333122 /nfs/dbraw/zinc/33/31/22/1066333122.db2.gz PPCAJJSMYSBNKB-FQEVSTJZSA-N 0 1 512.655 3.624 20 0 KHADMN CCCCn1c2nc(CCC(=O)NC[C@H](c3ccco3)N3CCCCC3)n(CC(C)C)c2c(=O)[nH]c1=O ZINC000514292726 1066333176 /nfs/dbraw/zinc/33/31/76/1066333176.db2.gz PPCAJJSMYSBNKB-HXUWFJFHSA-N 0 1 512.655 3.624 20 0 KHADMN COCCCn1c(=O)[nH]nc1SCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(OC)c(OC)c1 ZINC000514293133 1066331133 /nfs/dbraw/zinc/33/11/33/1066331133.db2.gz SHVBZDAPVKSEPB-KRWDZBQOSA-N 0 1 517.633 3.569 20 0 KHADMN COCCCn1c(=O)[nH]nc1SCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(OC)c(OC)c1 ZINC000514293134 1066331244 /nfs/dbraw/zinc/33/12/44/1066331244.db2.gz SHVBZDAPVKSEPB-QGZVFWFLSA-N 0 1 517.633 3.569 20 0 KHADMN COc1ccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)N2CCCCC2)cc1 ZINC000514293163 1066330552 /nfs/dbraw/zinc/33/05/52/1066330552.db2.gz QQTVPDKABQPLSM-AREMUKBSSA-N 0 1 557.713 3.601 20 0 KHADMN COc1ccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)N2CCCCC2)cc1 ZINC000514293164 1066330649 /nfs/dbraw/zinc/33/06/49/1066330649.db2.gz QQTVPDKABQPLSM-SANMLTNESA-N 0 1 557.713 3.601 20 0 KHADMN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NC[C@H](c1ccc(OC)cc1)N1CCCCC1)n2C ZINC000514293241 1066330220 /nfs/dbraw/zinc/33/02/20/1066330220.db2.gz UGUNFDYHLWNZPQ-HHHXNRCGSA-N 0 1 555.745 3.888 20 0 KHADMN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCCC1)n2C ZINC000514293242 1066330115 /nfs/dbraw/zinc/33/01/15/1066330115.db2.gz UGUNFDYHLWNZPQ-MHZLTWQESA-N 0 1 555.745 3.888 20 0 KHADMN COc1cccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)N(C)C)c1 ZINC000514293322 1066337359 /nfs/dbraw/zinc/33/73/59/1066337359.db2.gz PHSNHZGNPMHJQK-NRFANRHFSA-N 0 1 513.582 3.534 20 0 KHADMN COc1cccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)N(C)C)c1 ZINC000514293326 1066337534 /nfs/dbraw/zinc/33/75/34/1066337534.db2.gz PHSNHZGNPMHJQK-OAQYLSRUSA-N 0 1 513.582 3.534 20 0 KHADMN CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)CC1 ZINC000514295077 1066339887 /nfs/dbraw/zinc/33/98/87/1066339887.db2.gz ADNMSQLUOURWHR-UHFFFAOYSA-N 0 1 645.148 3.772 20 0 KHADMN COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)Nc2ccc(Br)cc2F)c(C(=O)OC)c1C ZINC000514296453 1066348255 /nfs/dbraw/zinc/34/82/55/1066348255.db2.gz LXVSWTKVUPURIY-AWEZNQCLSA-N 0 1 597.506 3.570 20 0 KHADMN COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2ccc(Br)cc2F)c(C(=O)OC)c1C ZINC000514296454 1066348221 /nfs/dbraw/zinc/34/82/21/1066348221.db2.gz LXVSWTKVUPURIY-CQSZACIVSA-N 0 1 597.506 3.570 20 0 KHADMN COc1ccc(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1ccc(I)cc1 ZINC000514296455 1066348081 /nfs/dbraw/zinc/34/80/81/1066348081.db2.gz LYDZQHJYFKIWPW-KDURUIRLSA-N 0 1 611.458 3.604 20 0 KHADMN COc1ccc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)Nc1ccc(I)cc1 ZINC000514296456 1066348174 /nfs/dbraw/zinc/34/81/74/1066348174.db2.gz LYDZQHJYFKIWPW-OALUTQOASA-N 0 1 611.458 3.604 20 0 KHADMN COc1ccc(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)Nc1ccc(I)cc1 ZINC000514296457 1066348338 /nfs/dbraw/zinc/34/83/38/1066348338.db2.gz LYDZQHJYFKIWPW-RTBURBONSA-N 0 1 611.458 3.604 20 0 KHADMN COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c(C(=O)OC)c1C ZINC000514297269 1066349292 /nfs/dbraw/zinc/34/92/92/1066349292.db2.gz RBXFOAJFEMZCAX-CYBMUJFWSA-N 0 1 601.071 3.923 20 0 KHADMN COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c(C(=O)OC)c1C ZINC000514297271 1066349123 /nfs/dbraw/zinc/34/91/23/1066349123.db2.gz RBXFOAJFEMZCAX-ZDUSSCGKSA-N 0 1 601.071 3.923 20 0 KHADMN CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](c3ccccc3Cl)N3CCCC3)CC2)cc1 ZINC000514297359 1066349210 /nfs/dbraw/zinc/34/92/10/1066349210.db2.gz VLXKVVRRFAWZQU-RUZDIDTESA-N 0 1 518.079 3.897 20 0 KHADMN CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](c3ccccc3Cl)N3CCCC3)CC2)cc1 ZINC000514297364 1066349266 /nfs/dbraw/zinc/34/92/66/1066349266.db2.gz VLXKVVRRFAWZQU-VWLOTQADSA-N 0 1 518.079 3.897 20 0 KHADMN COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2ccccc2N2CCCCC2)c(C(=O)OC)c1C ZINC000514297379 1066349343 /nfs/dbraw/zinc/34/93/43/1066349343.db2.gz SPJFAOBABQNNSO-GOSISDBHSA-N 0 1 583.754 3.659 20 0 KHADMN COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)Nc2ccccc2N2CCCCC2)c(C(=O)OC)c1C ZINC000514297380 1066349318 /nfs/dbraw/zinc/34/93/18/1066349318.db2.gz SPJFAOBABQNNSO-SFHVURJKSA-N 0 1 583.754 3.659 20 0 KHADMN COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)Nc2ccc(C)cc2Cl)c(C(=O)OC)c1C ZINC000514297432 1066351370 /nfs/dbraw/zinc/35/13/70/1066351370.db2.gz UDCJXWIRBVKLQT-HNNXBMFYSA-N 0 1 549.092 3.630 20 0 KHADMN COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2ccc(C)cc2Cl)c(C(=O)OC)c1C ZINC000514297439 1066351420 /nfs/dbraw/zinc/35/14/20/1066351420.db2.gz UDCJXWIRBVKLQT-OAHLLOKOSA-N 0 1 549.092 3.630 20 0 KHADMN CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3OC)c2)c(=O)[nH]c1=O ZINC000514297800 1066349611 /nfs/dbraw/zinc/34/96/11/1066349611.db2.gz XUJLQLQAQCDYBV-UHFFFAOYSA-N 0 1 628.752 3.857 20 0 KHADMN CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2ccc3c(c2)C(=O)N(c2cc(C)ccc2C)C3=O)CC1 ZINC000514298032 1066350356 /nfs/dbraw/zinc/35/03/56/1066350356.db2.gz ZLSNVBVMDDDYSD-UHFFFAOYSA-N 0 1 631.755 3.519 20 0 KHADMN COc1ccc(Br)cc1S(=O)(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000514298283 1066350393 /nfs/dbraw/zinc/35/03/93/1066350393.db2.gz ZEGSFFPLFGXJAM-UHFFFAOYSA-N 0 1 503.440 3.742 20 0 KHADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000514298618 1066353940 /nfs/dbraw/zinc/35/39/40/1066353940.db2.gz CPRFHPRISZDMRC-UHFFFAOYSA-N 0 1 507.056 3.527 20 0 KHADMN CCOc1ccc(NS(=O)(=O)c2cc(OC)c(OC)cc2Br)cc1S(=O)(=O)N(CC)CC ZINC000514299176 1066352269 /nfs/dbraw/zinc/35/22/69/1066352269.db2.gz BOKFQOSYWWLMTK-UHFFFAOYSA-N 0 1 551.481 3.696 20 0 KHADMN COc1cccc([C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)N2CCCC2)c1 ZINC000514299664 1066356794 /nfs/dbraw/zinc/35/67/94/1066356794.db2.gz MSPRQYFNSJMLOQ-HHHXNRCGSA-N 0 1 511.688 3.538 20 0 KHADMN COc1cccc([C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)N2CCCC2)c1 ZINC000514299665 1066356983 /nfs/dbraw/zinc/35/69/83/1066356983.db2.gz MSPRQYFNSJMLOQ-MHZLTWQESA-N 0 1 511.688 3.538 20 0 KHADMN COc1ccc([C@@H](CNC(=O)CCCN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)N2CCCCC2)cc1 ZINC000514300087 1066355417 /nfs/dbraw/zinc/35/54/17/1066355417.db2.gz SIIADAHNACHXGB-AREMUKBSSA-N 0 1 515.676 3.642 20 0 KHADMN COc1ccc([C@H](CNC(=O)CCCN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)N2CCCCC2)cc1 ZINC000514300088 1066355630 /nfs/dbraw/zinc/35/56/30/1066355630.db2.gz SIIADAHNACHXGB-SANMLTNESA-N 0 1 515.676 3.642 20 0 KHADMN CCN(CC)S(=O)(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)CSc2nnc(-c3ccc(OC)cc3)o2)c1 ZINC000514300102 1066355684 /nfs/dbraw/zinc/35/56/84/1066355684.db2.gz SUIXFKQWQPXEKQ-UHFFFAOYSA-N 0 1 588.756 3.648 20 0 KHADMN CCOc1ccc(NS(=O)(=O)c2ccccc2Br)cc1S(=O)(=O)N1CCCCC1 ZINC000514300473 1066369879 /nfs/dbraw/zinc/36/98/79/1066369879.db2.gz VPKMBBKWQBIMIW-UHFFFAOYSA-N 0 1 503.440 3.823 20 0 KHADMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)cc1 ZINC000514300659 1066339154 /nfs/dbraw/zinc/33/91/54/1066339154.db2.gz QSIPSDIPBAHBDN-UHFFFAOYSA-N 0 1 579.473 3.842 20 0 KHADMN CCCn1c2ccc(S(N)(=O)=O)cc2nc1CCC(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000514300864 1066359693 /nfs/dbraw/zinc/35/96/93/1066359693.db2.gz TXOJTRJMYATFGJ-UHFFFAOYSA-N 0 1 519.671 3.524 20 0 KHADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c1 ZINC000514300884 1066359627 /nfs/dbraw/zinc/35/96/27/1066359627.db2.gz RPFLNQWTPKHZJI-UHFFFAOYSA-N 0 1 521.444 3.532 20 0 KHADMN CCN(CC)[C@H](CNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)c1ccccc1Cl ZINC000514300949 1066359192 /nfs/dbraw/zinc/35/91/92/1066359192.db2.gz UKULSEXNNCOJQM-HSZRJFAPSA-N 0 1 520.099 3.609 20 0 KHADMN CCN(CC)[C@@H](CNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)c1ccccc1Cl ZINC000514300950 1066359168 /nfs/dbraw/zinc/35/91/68/1066359168.db2.gz UKULSEXNNCOJQM-QHCPKHFHSA-N 0 1 520.099 3.609 20 0 KHADMN CCn1c(CCC(=O)N2CCN(Cc3cccc4ccccc43)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000514301105 1066358576 /nfs/dbraw/zinc/35/85/76/1066358576.db2.gz WAKNRKRUBAZZLI-UHFFFAOYSA-N 0 1 575.735 3.507 20 0 KHADMN Cc1ccc(C=Cc2n[nH]c(SCC(=O)N3CCc4cc(S(=O)(=O)N5CCCCC5)ccc43)n2)o1 ZINC000514302737 1066367036 /nfs/dbraw/zinc/36/70/36/1066367036.db2.gz ROUDNRJSELELGC-JXMROGBWSA-N 0 1 513.645 3.733 20 0 KHADMN Cc1ccc(C=Cc2n[nH]c(SCC(=O)N3CCc4cc(S(=O)(=O)N5CCCCC5)ccc43)n2)o1 ZINC000514302738 1066366937 /nfs/dbraw/zinc/36/69/37/1066366937.db2.gz ROUDNRJSELELGC-YFHOEESVSA-N 0 1 513.645 3.733 20 0 KHADMN CN1CCN(c2ccc(CNc3nc(CN4CCOCC4)nc4scc(-c5ccccc5)c43)cn2)CC1 ZINC000514302929 1066366882 /nfs/dbraw/zinc/36/68/82/1066366882.db2.gz HIOCWEGPLCNSFH-UHFFFAOYSA-N 0 1 515.687 3.949 20 0 KHADMN CCCCN(C(=O)CSc1nc(-c2ccccc2Br)n[nH]1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000514376142 1066381114 /nfs/dbraw/zinc/38/11/14/1066381114.db2.gz CSAZMPUEUBFAEH-UHFFFAOYSA-N 0 1 550.483 3.660 20 0 KHADMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1 ZINC000514379594 1066397842 /nfs/dbraw/zinc/39/78/42/1066397842.db2.gz ALUMAXPWZWVKCH-KDURUIRLSA-N 0 1 564.458 3.762 20 0 KHADMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 ZINC000514379595 1066398081 /nfs/dbraw/zinc/39/80/81/1066398081.db2.gz ALUMAXPWZWVKCH-OALUTQOASA-N 0 1 564.458 3.762 20 0 KHADMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 ZINC000514379596 1066398001 /nfs/dbraw/zinc/39/80/01/1066398001.db2.gz ALUMAXPWZWVKCH-RTBURBONSA-N 0 1 564.458 3.762 20 0 KHADMN COc1ccc(NC(=O)CNC(=O)C2CCCCC2)cc1S(=O)(=O)Nc1ccc(I)cc1 ZINC000514380291 1066396227 /nfs/dbraw/zinc/39/62/27/1066396227.db2.gz HQGGEDIUIITRTM-UHFFFAOYSA-N 0 1 571.437 3.736 20 0 KHADMN COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)Nc2cccc(Cl)c2C)c(C(=O)OC)c1C ZINC000514380356 1066395910 /nfs/dbraw/zinc/39/59/10/1066395910.db2.gz IFTOZVMKJWOPBZ-HNNXBMFYSA-N 0 1 549.092 3.630 20 0 KHADMN COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2cccc(Cl)c2C)c(C(=O)OC)c1C ZINC000514380358 1066396080 /nfs/dbraw/zinc/39/60/80/1066396080.db2.gz IFTOZVMKJWOPBZ-OAHLLOKOSA-N 0 1 549.092 3.630 20 0 KHADMN COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)Nc2cc(Cl)ccc2C)c(C(=O)OC)c1C ZINC000514380372 1066398262 /nfs/dbraw/zinc/39/82/62/1066398262.db2.gz IUIGYOSPDBLOBZ-AWEZNQCLSA-N 0 1 549.092 3.630 20 0 KHADMN COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2cc(Cl)ccc2C)c(C(=O)OC)c1C ZINC000514380373 1066398441 /nfs/dbraw/zinc/39/84/41/1066398441.db2.gz IUIGYOSPDBLOBZ-CQSZACIVSA-N 0 1 549.092 3.630 20 0 KHADMN COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)Nc2ccc(OC(F)(F)F)cc2)c(C(=O)OC)c1C ZINC000514380457 1066446650 /nfs/dbraw/zinc/44/66/50/1066446650.db2.gz LMLDEAJEIBXOJY-AWEZNQCLSA-N 0 1 584.616 3.567 20 0 KHADMN COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2ccc(OC(F)(F)F)cc2)c(C(=O)OC)c1C ZINC000514380461 1066375288 /nfs/dbraw/zinc/37/52/88/1066375288.db2.gz LMLDEAJEIBXOJY-CQSZACIVSA-N 0 1 584.616 3.567 20 0 KHADMN COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)Nc2ccc(C(C)C)cc2)c(C(=O)OC)c1C ZINC000514380486 1066385190 /nfs/dbraw/zinc/38/51/90/1066385190.db2.gz LUOXATYURBLBCS-KRWDZBQOSA-N 0 1 542.701 3.792 20 0 KHADMN COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2ccc(C(C)C)cc2)c(C(=O)OC)c1C ZINC000514380491 1066388112 /nfs/dbraw/zinc/38/81/12/1066388112.db2.gz LUOXATYURBLBCS-QGZVFWFLSA-N 0 1 542.701 3.792 20 0 KHADMN CCCn1c(CCC(=O)NC[C@H](c2cccs2)N(C)C)nc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000514380575 1066374957 /nfs/dbraw/zinc/37/49/57/1066374957.db2.gz NHSGNZQWVHTQCO-JOCHJYFZSA-N 0 1 517.721 3.644 20 0 KHADMN CCCn1c(CCC(=O)NC[C@@H](c2cccs2)N(C)C)nc2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000514380576 1066374817 /nfs/dbraw/zinc/37/48/17/1066374817.db2.gz NHSGNZQWVHTQCO-QFIPXVFZSA-N 0 1 517.721 3.644 20 0 KHADMN COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)Nc2ccc(I)cc2C)c(C(=O)OC)c1C ZINC000514380915 1066373951 /nfs/dbraw/zinc/37/39/51/1066373951.db2.gz RDYBUTOXHQMYDX-HNNXBMFYSA-N 0 1 640.543 3.581 20 0 KHADMN COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2ccc(I)cc2C)c(C(=O)OC)c1C ZINC000514380916 1066374069 /nfs/dbraw/zinc/37/40/69/1066374069.db2.gz RDYBUTOXHQMYDX-OAHLLOKOSA-N 0 1 640.543 3.581 20 0 KHADMN COC(=O)c1sc(S(=O)(=O)N[C@@H](CCSC)C(=O)Nc2ccc(N3CCCC3)cc2C)c(C(=O)OC)c1C ZINC000514380979 1066373315 /nfs/dbraw/zinc/37/33/15/1066373315.db2.gz ULCLIKGZHWPUSO-IBGZPJMESA-N 0 1 583.754 3.577 20 0 KHADMN COC(=O)c1sc(S(=O)(=O)N[C@H](CCSC)C(=O)Nc2ccc(N3CCCC3)cc2C)c(C(=O)OC)c1C ZINC000514380980 1066373401 /nfs/dbraw/zinc/37/34/01/1066373401.db2.gz ULCLIKGZHWPUSO-LJQANCHMSA-N 0 1 583.754 3.577 20 0 KHADMN CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000514381430 1066398710 /nfs/dbraw/zinc/39/87/10/1066398710.db2.gz FGANISNNTPYXHP-FBCSTPJJSA-N 0 1 511.648 3.573 20 0 KHADMN CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000514381431 1066398838 /nfs/dbraw/zinc/39/88/38/1066398838.db2.gz FGANISNNTPYXHP-OMQIJLIKSA-N 0 1 511.648 3.573 20 0 KHADMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)c1 ZINC000514381834 1066448745 /nfs/dbraw/zinc/44/87/45/1066448745.db2.gz ACWDZOQRXHWWHK-UHFFFAOYSA-N 0 1 506.024 3.624 20 0 KHADMN CCN1CCN(c2ccc(Cl)cc2NC(=O)CSCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)CC1 ZINC000514382014 1066447400 /nfs/dbraw/zinc/44/74/00/1066447400.db2.gz YQJKRVODOCNBNQ-UHFFFAOYSA-N 0 1 557.120 3.590 20 0 KHADMN CCOc1ccc(NS(=O)(=O)c2cc(Br)ccc2OC)cc1S(=O)(=O)N1CCCCC1 ZINC000514382074 1066446637 /nfs/dbraw/zinc/44/66/37/1066446637.db2.gz FJIADILVBRJFJP-UHFFFAOYSA-N 0 1 533.466 3.832 20 0 KHADMN Cc1cc(N2CCN(C)CC2)ccc1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000514382132 1066447389 /nfs/dbraw/zinc/44/73/89/1066447389.db2.gz HHMWTIPRODGSGX-UHFFFAOYSA-N 0 1 509.047 3.579 20 0 KHADMN CCN(CC)S(=O)(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)C2CCN(C(=O)CSc3ncnc4ccccc43)CC2)c1 ZINC000514382575 1066404669 /nfs/dbraw/zinc/40/46/69/1066404669.db2.gz QISZUBXRXZTRDC-UHFFFAOYSA-N 0 1 653.875 3.772 20 0 KHADMN COc1ccc(NC(=O)CSc2ccccc2C(=O)NC[C@H]2CN(CC(C)C)CCO2)cc1OC ZINC000514383137 1066399955 /nfs/dbraw/zinc/39/99/55/1066399955.db2.gz CPGFNLABODNSGT-FQEVSTJZSA-N 0 1 501.649 3.521 20 0 KHADMN COc1ccc(NC(=O)CSc2ccccc2C(=O)NC[C@@H]2CN(CC(C)C)CCO2)cc1OC ZINC000514383140 1066399917 /nfs/dbraw/zinc/39/99/17/1066399917.db2.gz CPGFNLABODNSGT-HXUWFJFHSA-N 0 1 501.649 3.521 20 0 KHADMN CCN(CC)S(=O)(=O)c1cc(NS(=O)(=O)c2cc(OC)c(OC)cc2Br)ccc1C ZINC000514383185 1066400615 /nfs/dbraw/zinc/40/06/15/1066400615.db2.gz HOBITIPDZNNFTK-UHFFFAOYSA-N 0 1 521.455 3.606 20 0 KHADMN COc1cc(Br)c(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)cc1OC ZINC000514383195 1066400695 /nfs/dbraw/zinc/40/06/95/1066400695.db2.gz IBMCHVZAKIBPGP-UHFFFAOYSA-N 0 1 533.466 3.750 20 0 KHADMN CCN(CC)S(=O)(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)Cc2csc(NC(=O)c3cccs3)n2)c1 ZINC000514383263 1066399283 /nfs/dbraw/zinc/39/92/83/1066399283.db2.gz FQUKPXJQHAMKBW-UHFFFAOYSA-N 0 1 590.797 3.811 20 0 KHADMN CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2sc3cccc(F)c3c2COC)CC1 ZINC000514383457 1066409218 /nfs/dbraw/zinc/40/92/18/1066409218.db2.gz JNLUWXYRJOTLAH-UHFFFAOYSA-N 0 1 576.716 3.602 20 0 KHADMN CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2sc(-c3cccs3)nc2C)CC1 ZINC000514383565 1066409208 /nfs/dbraw/zinc/40/92/08/1066409208.db2.gz LFRXUUYYEXMRFI-UHFFFAOYSA-N 0 1 561.755 3.595 20 0 KHADMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)n1 ZINC000514384582 1066412959 /nfs/dbraw/zinc/41/29/59/1066412959.db2.gz QWOKBUQXYAHRSZ-AWEZNQCLSA-N 0 1 513.066 3.503 20 0 KHADMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)n1 ZINC000514384583 1066412827 /nfs/dbraw/zinc/41/28/27/1066412827.db2.gz QWOKBUQXYAHRSZ-CQSZACIVSA-N 0 1 513.066 3.503 20 0 KHADMN CC(C)CN1CCO[C@@H](CNC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)C1 ZINC000514385869 1066415601 /nfs/dbraw/zinc/41/56/01/1066415601.db2.gz XNJXFPZRYSXJGP-NRFANRHFSA-N 0 1 501.056 3.548 20 0 KHADMN CC(C)CN1CCO[C@H](CNC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)C1 ZINC000514385870 1066415572 /nfs/dbraw/zinc/41/55/72/1066415572.db2.gz XNJXFPZRYSXJGP-OAQYLSRUSA-N 0 1 501.056 3.548 20 0 KHADMN CC(C)CN1CCO[C@@H](CNC(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)C1 ZINC000514386068 1066415784 /nfs/dbraw/zinc/41/57/84/1066415784.db2.gz BRZUIMWFMJEYAP-NRFANRHFSA-N 0 1 545.507 3.657 20 0 KHADMN CC(C)CN1CCO[C@H](CNC(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)C1 ZINC000514386069 1066415652 /nfs/dbraw/zinc/41/56/52/1066415652.db2.gz BRZUIMWFMJEYAP-OAQYLSRUSA-N 0 1 545.507 3.657 20 0 KHADMN CCCCn1c(N)c(N(C(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)C2CCCC2)c(=O)[nH]c1=O ZINC000514386514 1066422897 /nfs/dbraw/zinc/42/28/97/1066422897.db2.gz QVOODFPKYKUANT-UHFFFAOYSA-N 0 1 562.494 3.947 20 0 KHADMN O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000514387649 1066427970 /nfs/dbraw/zinc/42/79/70/1066427970.db2.gz HJVJZXKHHNZQPS-UHFFFAOYSA-N 0 1 548.105 3.683 20 0 KHADMN O=C(CCN1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000514388162 1066425344 /nfs/dbraw/zinc/42/53/44/1066425344.db2.gz VRBCSLOFHYCVMR-UHFFFAOYSA-N 0 1 534.686 3.549 20 0 KHADMN CC(C)n1ncc2c1nc(-c1ccc3c(c1)OCCO3)cc2C(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000514388170 1066425366 /nfs/dbraw/zinc/42/53/66/1066425366.db2.gz PUNYTVACAQIQQD-UHFFFAOYSA-N 0 1 527.629 3.527 20 0 KHADMN COc1ccc(C(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1S(=O)(=O)NC1CCCC1 ZINC000514388309 1066424683 /nfs/dbraw/zinc/42/46/83/1066424683.db2.gz NSZVKYBFXVTBEW-UHFFFAOYSA-N 0 1 506.068 3.964 20 0 KHADMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)C2CCN(S(=O)(=O)CC)CC2)cc1 ZINC000514388491 1066432264 /nfs/dbraw/zinc/43/22/64/1066432264.db2.gz ZBNSGPLAJDHEBK-UHFFFAOYSA-N 0 1 574.519 3.649 20 0 KHADMN CCN(CC)S(=O)(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)CCc2nc(-c3cccs3)no2)c1 ZINC000514388821 1066431540 /nfs/dbraw/zinc/43/15/40/1066431540.db2.gz SDAQDIJBRYMXOS-UHFFFAOYSA-N 0 1 546.719 3.542 20 0 KHADMN O=C(CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)CC1)N1CCCCC1 ZINC000514389752 1066438257 /nfs/dbraw/zinc/43/82/57/1066438257.db2.gz LUCDKZOQKIKNQG-UHFFFAOYSA-N 0 1 539.485 3.565 20 0 KHADMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@H]3CCCN(S(=O)(=O)c4c(C)noc4C)C3)ccc2OC)cc1 ZINC000514390619 1066441192 /nfs/dbraw/zinc/44/11/92/1066441192.db2.gz QTKBJVZFPRMAMY-IBGZPJMESA-N 0 1 592.696 3.539 20 0 KHADMN CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H]3CCCN(S(=O)(=O)c4c(C)noc4C)C3)ccc2OC)cc1 ZINC000514390620 1066441465 /nfs/dbraw/zinc/44/14/65/1066441465.db2.gz QTKBJVZFPRMAMY-LJQANCHMSA-N 0 1 592.696 3.539 20 0 KHADMN CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NC1CCN(Cc3ccc(Cl)cc3)CC1)n2C ZINC000514390721 1066440787 /nfs/dbraw/zinc/44/07/87/1066440787.db2.gz ATJRQTPFEOPEIH-UHFFFAOYSA-N 0 1 546.137 3.971 20 0 KHADMN COc1ccc(C(=O)N2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000514391067 1066438740 /nfs/dbraw/zinc/43/87/40/1066438740.db2.gz YTUWHBKSEDZEAI-UHFFFAOYSA-N 0 1 525.593 3.847 20 0 KHADMN COc1ccc(C(=O)N2CCN(CC(F)(F)F)CC2)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000514391106 1066439539 /nfs/dbraw/zinc/43/95/39/1066439539.db2.gz FSSGWUQQOYNSRN-UHFFFAOYSA-N 0 1 536.370 3.579 20 0 KHADMN O=C(CCN1CCN(CCCc2nc(-c3cccs3)no2)CC1)Nc1ccc(N2CCCC2=O)cc1 ZINC000514391127 1066442839 /nfs/dbraw/zinc/44/28/39/1066442839.db2.gz GWZXTZUSWLKZHX-UHFFFAOYSA-N 0 1 508.648 3.504 20 0 KHADMN O=C(CCN1CCN(CCOc2ccc(Cl)cc2)CC1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000514391269 1066442784 /nfs/dbraw/zinc/44/27/84/1066442784.db2.gz FSAAENPVQAJBKG-UHFFFAOYSA-N 0 1 555.528 3.803 20 0 KHADMN COc1ccc([C@H](CNC(=O)CCCn2cnc3cc(OC)c(OC)cc3c2=O)N2CCCCC2)cc1 ZINC000514391613 1066444135 /nfs/dbraw/zinc/44/41/35/1066444135.db2.gz NKSUCVIITIVTMP-DEOSSOPVSA-N 0 1 508.619 3.546 20 0 KHADMN COc1ccc([C@@H](CNC(=O)CCCn2cnc3cc(OC)c(OC)cc3c2=O)N2CCCCC2)cc1 ZINC000514391616 1066444191 /nfs/dbraw/zinc/44/41/91/1066444191.db2.gz NKSUCVIITIVTMP-XMMPIXPASA-N 0 1 508.619 3.546 20 0 KHADMN COc1ccc(NC(=O)CCN2CCN(CCOc3ccccc3Cl)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000514391692 1066443542 /nfs/dbraw/zinc/44/35/42/1066443542.db2.gz MZTRJYNJDRYTDI-UHFFFAOYSA-N 0 1 565.136 3.548 20 0 KHADMN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nc(CCC2CCCC2)n[nH]1 ZINC000514393834 1066471458 /nfs/dbraw/zinc/47/14/58/1066471458.db2.gz MKMCIDZQPACMFN-UHFFFAOYSA-N 0 1 507.682 3.842 20 0 KHADMN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1n[nH]c(CCC2CCCC2)n1 ZINC000514393834 1066471453 /nfs/dbraw/zinc/47/14/53/1066471453.db2.gz MKMCIDZQPACMFN-UHFFFAOYSA-N 0 1 507.682 3.842 20 0 KHADMN CCCCn1c(N)c(N(C(=O)CSc2nc(CCC3CCCC3)n[nH]2)C2CCCC2)c(=O)[nH]c1=O ZINC000514394095 1066470170 /nfs/dbraw/zinc/47/01/70/1066470170.db2.gz OZLZUUBFXSLPNV-UHFFFAOYSA-N 0 1 503.673 3.640 20 0 KHADMN CCCCn1c(N)c(N(C(=O)CSc2n[nH]c(CCC3CCCC3)n2)C2CCCC2)c(=O)[nH]c1=O ZINC000514394095 1066470163 /nfs/dbraw/zinc/47/01/63/1066470163.db2.gz OZLZUUBFXSLPNV-UHFFFAOYSA-N 0 1 503.673 3.640 20 0 KHADMN CN1C(=O)Cc2cc(S(=O)(=O)Nc3cc(S(=O)(=O)N4CCCCCC4)ccc3OCC(F)(F)F)ccc21 ZINC000514394288 1066468789 /nfs/dbraw/zinc/46/87/89/1066468789.db2.gz SFUCXRAZKBCYBE-UHFFFAOYSA-N 0 1 561.604 3.512 20 0 KHADMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)CCCNC(=O)NC3CCCCC3)ccc2OC)cc1 ZINC000514395184 1066474095 /nfs/dbraw/zinc/47/40/95/1066474095.db2.gz FDNREKBVHTXYSZ-UHFFFAOYSA-N 0 1 518.636 3.855 20 0 KHADMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(N[C@@H](C)C(=O)NCCCOC)cc1 ZINC000514395440 1066480680 /nfs/dbraw/zinc/48/06/80/1066480680.db2.gz KKDUESUPTNCVMH-HNNXBMFYSA-N 0 1 514.442 3.602 20 0 KHADMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(N[C@H](C)C(=O)NCCCOC)cc1 ZINC000514395441 1066480830 /nfs/dbraw/zinc/48/08/30/1066480830.db2.gz KKDUESUPTNCVMH-OAHLLOKOSA-N 0 1 514.442 3.602 20 0 KHADMN CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccc(Br)cc3)c2)CC1 ZINC000514401529 1066455507 /nfs/dbraw/zinc/45/55/07/1066455507.db2.gz YICAUJIXFZNGQM-UHFFFAOYSA-N 0 1 564.911 3.904 20 0 KHADMN COCCCn1c(S[C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)nnc1-c1ccc(OC)c(OC)c1 ZINC000514402020 1066453818 /nfs/dbraw/zinc/45/38/18/1066453818.db2.gz JKSSDNFDLSKBRK-NFBKMPQASA-N 0 1 539.702 3.870 20 0 KHADMN COCCCn1c(S[C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)nnc1-c1ccc(OC)c(OC)c1 ZINC000514402021 1066453703 /nfs/dbraw/zinc/45/37/03/1066453703.db2.gz JKSSDNFDLSKBRK-NZQKXSOJSA-N 0 1 539.702 3.870 20 0 KHADMN COCCCn1c(S[C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)nnc1-c1ccc(OC)c(OC)c1 ZINC000514402022 1066453630 /nfs/dbraw/zinc/45/36/30/1066453630.db2.gz JKSSDNFDLSKBRK-OFNKIYASSA-N 0 1 539.702 3.870 20 0 KHADMN COCCCn1c(S[C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)nnc1-c1ccc(OC)c(OC)c1 ZINC000514402023 1066453738 /nfs/dbraw/zinc/45/37/38/1066453738.db2.gz JKSSDNFDLSKBRK-REWPJTCUSA-N 0 1 539.702 3.870 20 0 KHADMN CCN1CCN(c2ccccc2NC(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000514403573 1066463796 /nfs/dbraw/zinc/46/37/96/1066463796.db2.gz NPELRSSODZTOOT-UHFFFAOYSA-N 0 1 524.609 3.887 20 0 KHADMN Cc1cc(C(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)c(C)n1[C@H]1CCS(=O)(=O)C1 ZINC000514403574 1066463812 /nfs/dbraw/zinc/46/38/12/1066463812.db2.gz NRCNQOSYHRSJRY-INIZCTEOSA-N 0 1 509.451 3.987 20 0 KHADMN Cc1cc(C(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000514403575 1066464311 /nfs/dbraw/zinc/46/43/11/1066464311.db2.gz NRCNQOSYHRSJRY-MRXNPFEDSA-N 0 1 509.451 3.987 20 0 KHADMN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(N3CCCCC3)c(S(=O)(=O)N3CCCCC3)c2)c1 ZINC000514404348 1066461124 /nfs/dbraw/zinc/46/11/24/1066461124.db2.gz CQQZPCSRWZSADA-UHFFFAOYSA-N 0 1 535.688 3.603 20 0 KHADMN CC(C)(C)OC(=O)NC(C)(C)[C@@H](NCc1ccccc1)C(=O)Nc1cnc(-n2nccn2)c(Cl)c1 ZINC001146575228 1066516040 /nfs/dbraw/zinc/51/60/40/1066516040.db2.gz ZVJBGTUFWFGQDX-IBGZPJMESA-N 0 1 500.003 3.716 20 0 KHADMN CC(C)(C)OC(=O)NC(C)(C)[C@H](NCc1ccccc1)C(=O)Nc1cnc(-n2nccn2)c(Cl)c1 ZINC001146575232 1066516136 /nfs/dbraw/zinc/51/61/36/1066516136.db2.gz ZVJBGTUFWFGQDX-LJQANCHMSA-N 0 1 500.003 3.716 20 0 KHADMN Cc1ccc([C@H](C(=O)Nc2nc(Cl)nc3[n-]cnc32)[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC001186138279 1066532040 /nfs/dbraw/zinc/53/20/40/1066532040.db2.gz NOMDJNKANVJDBX-GOSISDBHSA-N 0 1 500.003 3.984 20 0 KHADMN Cc1ccc([C@@H](C(=O)Nc2nc(Cl)nc3[n-]cnc32)[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1 ZINC001186138280 1066531986 /nfs/dbraw/zinc/53/19/86/1066531986.db2.gz NOMDJNKANVJDBX-SFHVURJKSA-N 0 1 500.003 3.984 20 0 KHADMN