smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCC(NC(=O)C2CCN(Cc3cccc(Cl)c3Cl)CC2)CC1 ZINC000217030024 565896758 /nfs/dbraw/zinc/89/67/58/565896758.db2.gz YGKRKKPMOLYSOU-UHFFFAOYSA-N 0 3 384.351 3.416 40 70 GGIBHN Cc1ccccc1CS(=O)(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000216947744 570310195 /nfs/dbraw/zinc/31/01/95/570310195.db2.gz FWNRRGPQNGFXCA-UHFFFAOYSA-N 0 3 388.533 3.088 40 70 GGIBHN COc1ccccc1/C=C/C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000216927704 570309600 /nfs/dbraw/zinc/30/96/00/570309600.db2.gz SFSSJKVKQJBETF-FMIVXFBMSA-N 0 3 380.488 3.498 40 70 GGIBHN C[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000216946270 570309937 /nfs/dbraw/zinc/30/99/37/570309937.db2.gz QZLDZACKFPIDBL-INIZCTEOSA-N 0 3 386.467 3.382 40 70 GGIBHN Cn1c(CN2CCCCC2)cc(=O)c(O)c1CN1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000218065330 209184715 /nfs/dbraw/zinc/18/47/15/209184715.db2.gz PXGOLLVPXHZCGR-MBSDFSHPSA-N 0 3 387.568 3.477 40 70 GGIBHN CN1CCC(CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)CC1 ZINC000216894551 570308983 /nfs/dbraw/zinc/30/89/83/570308983.db2.gz VRNXKYGRKWZSKF-UHFFFAOYSA-N 0 3 379.504 3.330 40 70 GGIBHN COc1ccc(CC(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1OC ZINC000216930491 570309634 /nfs/dbraw/zinc/30/96/34/570309634.db2.gz FRFCTSHMXMUBTA-UHFFFAOYSA-N 0 3 398.503 3.036 40 70 GGIBHN Cc1cc(C)cc(OCC(=O)NCc2ccc(OC3CCN(C)CC3)cc2)c1 ZINC000216946142 570309994 /nfs/dbraw/zinc/30/99/94/570309994.db2.gz VEKOJRGUOXBZPP-UHFFFAOYSA-N 0 3 382.504 3.472 40 70 GGIBHN C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000216946255 570310000 /nfs/dbraw/zinc/31/00/00/570310000.db2.gz QZLDZACKFPIDBL-MRXNPFEDSA-N 0 3 386.467 3.382 40 70 GGIBHN CN1CCC(Oc2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000216941170 570310011 /nfs/dbraw/zinc/31/00/11/570310011.db2.gz QUYKLYHYEOYIFR-UHFFFAOYSA-N 0 3 394.924 3.292 40 70 GGIBHN CN1CCC(Oc2ccc(NS(=O)(=O)Cc3ccc(F)cc3)cc2)CC1 ZINC000216948871 570310388 /nfs/dbraw/zinc/31/03/88/570310388.db2.gz IDSPRBVSSPNISS-UHFFFAOYSA-N 0 3 378.469 3.241 40 70 GGIBHN CCc1ccc(OCC(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1 ZINC000217011845 570311161 /nfs/dbraw/zinc/31/11/61/570311161.db2.gz HIIUBPLJHYYBHP-UHFFFAOYSA-N 0 3 382.504 3.417 40 70 GGIBHN COc1ccccc1O[C@H](C)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000217032154 570312023 /nfs/dbraw/zinc/31/20/23/570312023.db2.gz TYAHGCWRTREAGI-QGZVFWFLSA-N 0 3 398.503 3.252 40 70 GGIBHN COc1cccc(OC)c1C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000216930224 570309359 /nfs/dbraw/zinc/30/93/59/570309359.db2.gz TXLWFFDWGKUMRA-UHFFFAOYSA-N 0 3 384.476 3.107 40 70 GGIBHN Cc1cccc(CS(=O)(=O)NCc2ccc(OC3CCN(C)CC3)cc2)c1 ZINC000216947822 570310222 /nfs/dbraw/zinc/31/02/22/570310222.db2.gz CSDBATYRBIUSJK-UHFFFAOYSA-N 0 3 388.533 3.088 40 70 GGIBHN COc1cccc(O[C@@H](C)C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)c1 ZINC000217024953 570311503 /nfs/dbraw/zinc/31/15/03/570311503.db2.gz WTOOKKITRNERCI-KRWDZBQOSA-N 0 3 398.503 3.252 40 70 GGIBHN O=C(c1ccsc1)N1CCC(N2CCC(Oc3nccs3)CC2)CC1 ZINC000217592145 565896851 /nfs/dbraw/zinc/89/68/51/565896851.db2.gz ONLACBGYMCTUHA-UHFFFAOYSA-N 0 3 377.535 3.353 40 70 GGIBHN CN1CCC(NC(=O)COc2ccc(C(C)(C)C)cc2Br)CC1 ZINC000217010090 565897367 /nfs/dbraw/zinc/89/73/67/565897367.db2.gz ATGQOTANMVWQQQ-UHFFFAOYSA-N 0 3 383.330 3.336 40 70 GGIBHN COc1ccc(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1OC ZINC000216926205 570309350 /nfs/dbraw/zinc/30/93/50/570309350.db2.gz LGSGVARZOZLVPN-UHFFFAOYSA-N 0 3 384.476 3.107 40 70 GGIBHN COc1ccc(O[C@@H](C)C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1 ZINC000216947229 570310310 /nfs/dbraw/zinc/31/03/10/570310310.db2.gz NCOKPYSPZZOKNO-KRWDZBQOSA-N 0 3 398.503 3.252 40 70 GGIBHN Cc1ccc(OCC(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1C ZINC000216946506 570310235 /nfs/dbraw/zinc/31/02/35/570310235.db2.gz RIJZJJBCJFTTHL-UHFFFAOYSA-N 0 3 382.504 3.472 40 70 GGIBHN COc1ccc(O[C@H](C)C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1 ZINC000216947252 570310295 /nfs/dbraw/zinc/31/02/95/570310295.db2.gz NCOKPYSPZZOKNO-QGZVFWFLSA-N 0 3 398.503 3.252 40 70 GGIBHN Cc1ccc(C)c(OCC(=O)NCc2ccc(OC3CCN(C)CC3)cc2)c1 ZINC000217011693 570311224 /nfs/dbraw/zinc/31/12/24/570311224.db2.gz VBJCPDJPIXKROC-UHFFFAOYSA-N 0 3 382.504 3.472 40 70 GGIBHN COc1ccccc1O[C@@H](C)C(=O)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000217032121 570311818 /nfs/dbraw/zinc/31/18/18/570311818.db2.gz TYAHGCWRTREAGI-KRWDZBQOSA-N 0 3 398.503 3.252 40 70 GGIBHN COc1ccc(/C=C/C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1 ZINC000216926977 570309391 /nfs/dbraw/zinc/30/93/91/570309391.db2.gz LRIPYFMWQMFWRS-KPKJPENVSA-N 0 3 380.488 3.498 40 70 GGIBHN Cc1ccc(CS(=O)(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1 ZINC000216947915 570310202 /nfs/dbraw/zinc/31/02/02/570310202.db2.gz QJTKFDPBNZDVFY-UHFFFAOYSA-N 0 3 388.533 3.088 40 70 GGIBHN CN1CCC(Oc2ccc(NS(=O)(=O)Cc3ccccc3F)cc2)CC1 ZINC000216948774 570310322 /nfs/dbraw/zinc/31/03/22/570310322.db2.gz NQJWVSWYBRLFRF-UHFFFAOYSA-N 0 3 378.469 3.241 40 70 GGIBHN COc1cccc(O[C@H](C)C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)c1 ZINC000217024997 570311618 /nfs/dbraw/zinc/31/16/18/570311618.db2.gz WTOOKKITRNERCI-QGZVFWFLSA-N 0 3 398.503 3.252 40 70 GGIBHN COc1ccc(S(=O)(=O)[N-]CCC2CC[NH+](C)CC2)c(Cl)c1Cl ZINC000216938397 565897640 /nfs/dbraw/zinc/89/76/40/565897640.db2.gz XBNQFZVOKBGMNH-UHFFFAOYSA-N 0 3 381.325 3.012 40 70 GGIBHN COc1ccc(CC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1OC ZINC000216930460 570309641 /nfs/dbraw/zinc/30/96/41/570309641.db2.gz JNMRORKBGOGVGP-UHFFFAOYSA-N 0 3 384.476 3.358 40 70 GGIBHN