smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(c1cc(-c2cccs2)[nH]n1)N1CCC[C@]2(C1)OC(=O)c1ccccc12 ZINC000217595251 205938746 /nfs/dbraw/zinc/93/87/46/205938746.db2.gz PZOHVWWUYOLGBS-HXUWFJFHSA-N 0 1 379.441 3.440 50 70 GGIAMN CSc1cccc(N2C[C@H](C(=O)Nc3cccc(-c4nnc[nH]4)c3)CC2=O)c1 ZINC000218203667 205944620 /nfs/dbraw/zinc/94/46/20/205944620.db2.gz QMTWJHNBDGAWHB-CQSZACIVSA-N 0 1 393.472 3.185 50 70 GGIAMN CC(C)Cc1nc2ccc(NC(=O)CCN3C(=O)CC4(CCCC4)C3=O)cc2[nH]1 ZINC000218503939 570335882 /nfs/dbraw/zinc/33/58/82/570335882.db2.gz KPRFGNNOIWGLSH-UHFFFAOYSA-N 0 1 396.491 3.409 50 70 GGIAMN COCc1n[nH]c(-c2ccc(NC(=O)c3cnc4ccccc4c3O)cc2)n1 ZINC000218423621 570334119 /nfs/dbraw/zinc/33/41/19/570334119.db2.gz YBWYFBHWEKTLKI-UHFFFAOYSA-N 0 1 375.388 3.124 50 70 GGIAMN CCCCc1ncc(CN2CCCn3nc([C@H](O)c4ccccc4)cc3C2)[nH]1 ZINC000218766133 570340613 /nfs/dbraw/zinc/34/06/13/570340613.db2.gz IZHYUXPKOBMMAJ-JOCHJYFZSA-N 0 1 379.508 3.436 50 70 GGIAMN CC[C@@H](O)c1cc2n(n1)CCCN(c1cc(C)nc(-c3ccccc3O)n1)C2 ZINC000218761189 570340636 /nfs/dbraw/zinc/34/06/36/570340636.db2.gz MGZQPVKCWKIGIS-GOSISDBHSA-N 0 1 379.464 3.208 50 70 GGIAMN CC[C@H](O)c1cc2n(n1)CCCN(c1cc(C)nc(-c3ccccc3O)n1)C2 ZINC000218761232 570340675 /nfs/dbraw/zinc/34/06/75/570340675.db2.gz MGZQPVKCWKIGIS-SFHVURJKSA-N 0 1 379.464 3.208 50 70 GGIAMN CC(C)Cc1nc(NC(=O)CCc2nc(-c3ccc4[nH]ccc4c3)no2)n[nH]1 ZINC000218539567 570925406 /nfs/dbraw/zinc/92/54/06/570925406.db2.gz FPWGPDIGHKMXFE-UHFFFAOYSA-N 0 1 379.424 3.106 50 70 GGIAMN CC(C)Cc1n[nH]c(NC(=O)CCc2nc(-c3ccc4[nH]ccc4c3)no2)n1 ZINC000218539567 570925408 /nfs/dbraw/zinc/92/54/08/570925408.db2.gz FPWGPDIGHKMXFE-UHFFFAOYSA-N 0 1 379.424 3.106 50 70 GGIAMN Cc1nc([C@@H]2CCCN2C(=O)CCCc2nc(-c3ccc(C)cc3)no2)n[nH]1 ZINC000218200759 570327558 /nfs/dbraw/zinc/32/75/58/570327558.db2.gz NVMTWKPOACFRGC-INIZCTEOSA-N 0 1 380.452 3.158 50 70 GGIAMN CC(C)c1n[nH]c(NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)n1 ZINC000218236511 570328835 /nfs/dbraw/zinc/32/88/35/570328835.db2.gz KSBXXJPHFXBGCT-UHFFFAOYSA-N 0 1 394.460 3.005 50 70 GGIAMN CC(C)c1nc(NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)n[nH]1 ZINC000218236511 570328840 /nfs/dbraw/zinc/32/88/40/570328840.db2.gz KSBXXJPHFXBGCT-UHFFFAOYSA-N 0 1 394.460 3.005 50 70 GGIAMN O=c1cc(CN2CCCCCC2)oc(CN2CCN(c3ccccc3)CC2)c1O ZINC000218148640 136203541 /nfs/dbraw/zinc/20/35/41/136203541.db2.gz ATXBRVXFCXTEKC-UHFFFAOYSA-N 0 1 397.519 3.044 50 70 GGIAMN CC[C@H](NC(=O)CN1CCC(c2ccccc2)CC1)c1cn2cccnc2n1 ZINC000217465836 570316620 /nfs/dbraw/zinc/31/66/20/570316620.db2.gz BVZIRGVTCPIFNY-IBGZPJMESA-N 0 1 377.492 3.176 50 70 GGIAMN Cc1nc([C@H]2CCCN2C(=O)CCCc2nc(-c3ccc(C)cc3)no2)n[nH]1 ZINC000218200821 570327529 /nfs/dbraw/zinc/32/75/29/570327529.db2.gz NVMTWKPOACFRGC-MRXNPFEDSA-N 0 1 380.452 3.158 50 70 GGIAMN CSc1cccc(N2C[C@@H](C(=O)Nc3cccc(-c4nnc[nH]4)c3)CC2=O)c1 ZINC000218203760 570327541 /nfs/dbraw/zinc/32/75/41/570327541.db2.gz QMTWJHNBDGAWHB-AWEZNQCLSA-N 0 1 393.472 3.185 50 70 GGIAMN COCCn1c2ccccc2nc1[C@H](C)NC(=O)c1[nH]nc2c1CCCCC2 ZINC000218229504 570328250 /nfs/dbraw/zinc/32/82/50/570328250.db2.gz QFMJQEQYMDGGQK-AWEZNQCLSA-N 0 1 381.480 3.166 50 70 GGIAMN CN(Cc1ccccc1)C(=O)COc1coc(CN2CCCCCC2)cc1=O ZINC000218252398 570329276 /nfs/dbraw/zinc/32/92/76/570329276.db2.gz NPBPLAPUSOZZFL-UHFFFAOYSA-N 0 1 384.476 3.053 50 70 GGIAMN Cc1[nH]nc(CCC(=O)N[C@@H](c2cnc3ccccc3c2)C2CC(O)C2)c1C ZINC000218656734 570338643 /nfs/dbraw/zinc/33/86/43/570338643.db2.gz DHEHTFPGVRCMFE-CWZMJNCASA-N 0 1 378.476 3.136 50 70 GGIAMN COc1ccccc1[C@@H]1CC(=O)Oc2c(C(C)=O)c(O)c3c(C)cc(=O)oc3c21 ZINC000217628763 205939731 /nfs/dbraw/zinc/93/97/31/205939731.db2.gz GFETVUKXKJCUSK-ZDUSSCGKSA-N 0 1 394.379 3.459 50 70 biogenic GGIAMN COC(=O)C[C@@H](c1ccc(OC(C)C)c(OC)c1)c1c(O)cc(C)oc1=O ZINC000218072357 222584082 /nfs/dbraw/zinc/58/40/82/222584082.db2.gz AIJKODHDTOUDEZ-AWEZNQCLSA-N 0 1 376.405 3.145 50 70 biogenic GGIAMN Cc1cc(C)cc(CSCC(=O)N2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000218260860 570329150 /nfs/dbraw/zinc/32/91/50/570329150.db2.gz XZSMFTFKHILUDR-LJQANCHMSA-N 0 1 376.566 3.107 50 70 GGIAMN CCCCc1ncc(CN2CCCn3nc([C@@H](O)c4ccccc4)cc3C2)[nH]1 ZINC000218766096 570340627 /nfs/dbraw/zinc/34/06/27/570340627.db2.gz IZHYUXPKOBMMAJ-QFIPXVFZSA-N 0 1 379.508 3.436 50 70 GGIAMN Cc1cc(C)cc(CSCC(=O)N2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000218260806 570328978 /nfs/dbraw/zinc/32/89/78/570328978.db2.gz XZSMFTFKHILUDR-IBGZPJMESA-N 0 1 376.566 3.107 50 70 GGIAMN CC[C@@H](NC(=O)CN1CCC(c2ccccc2)CC1)c1cn2cccnc2n1 ZINC000217465750 570316732 /nfs/dbraw/zinc/31/67/32/570316732.db2.gz BVZIRGVTCPIFNY-LJQANCHMSA-N 0 1 377.492 3.176 50 70 GGIAMN CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)Cc1nc2ccc(Cl)cc2[nH]1 ZINC000218270687 570329433 /nfs/dbraw/zinc/32/94/33/570329433.db2.gz LGSGEJQSOFGSCS-SJORKVTESA-N 0 1 377.872 3.015 50 70 GGIAMN COc1ccc(CCc2nnc(NC(=O)Cc3cc(F)c(F)cc3F)[nH]2)cc1 ZINC000218392417 570333327 /nfs/dbraw/zinc/33/33/27/570333327.db2.gz PKHQZMZQWWLXBT-UHFFFAOYSA-N 0 1 390.365 3.197 50 70 GGIAMN COc1ccc(CCc2n[nH]c(NC(=O)Cc3cc(F)c(F)cc3F)n2)cc1 ZINC000218392417 570333330 /nfs/dbraw/zinc/33/33/30/570333330.db2.gz PKHQZMZQWWLXBT-UHFFFAOYSA-N 0 1 390.365 3.197 50 70 GGIAMN Cc1[nH]nc(CCC(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)c1C ZINC000218656824 570338698 /nfs/dbraw/zinc/33/86/98/570338698.db2.gz DHEHTFPGVRCMFE-QRFVXNFXSA-N 0 1 378.476 3.136 50 70 GGIAMN