smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1cn(CC[N@H+]2CCC[C@H](c3ccccc3)CC2)cn1 ZINC000159801234 372181503 /nfs/dbraw/zinc/18/15/03/372181503.db2.gz GCLZOZYHHOZPMQ-KRWDZBQOSA-N 1 1 269.392 3.153 50 70 CGIAMO C[C@H](C(=O)c1c[nH]c2ccccc12)[N@H+]1CCC[C@@H](C)C1 ZINC000217448132 376174810 /nfs/dbraw/zinc/17/48/10/376174810.db2.gz IDYBAJHUOOKQIE-CHWSQXEVSA-N 1 1 270.376 3.471 50 70 CGIAMO COc1ccc2ccccc2c1C[N@@H+]1C[C@H]2CC[C@@H](C1)[C@H]2O ZINC000217802459 376180113 /nfs/dbraw/zinc/18/01/13/376180113.db2.gz HJHJAXFXOSGDPU-QWHZDKJVSA-N 1 1 297.398 3.051 50 70 CGIAMO Cc1c2cc(C)ccc2oc1C[N@H+]1CCN(C)[C@@H](C)C1 ZINC000217586503 376177163 /nfs/dbraw/zinc/17/71/63/376177163.db2.gz CLGCXEHNQYUHQE-ZDUSSCGKSA-N 1 1 272.392 3.186 50 70 CGIAMO Cc1c2cc(C)ccc2oc1CN1CC[N@H+](C)[C@@H](C)C1 ZINC000217586503 376177172 /nfs/dbraw/zinc/17/71/72/376177172.db2.gz CLGCXEHNQYUHQE-ZDUSSCGKSA-N 1 1 272.392 3.186 50 70 CGIAMO Cc1c2cc(C)ccc2oc1CN1CC[N@@H+](C)[C@@H](C)C1 ZINC000217586503 376177178 /nfs/dbraw/zinc/17/71/78/376177178.db2.gz CLGCXEHNQYUHQE-ZDUSSCGKSA-N 1 1 272.392 3.186 50 70 CGIAMO Nc1ccc(SC[C@@H]2CCC[N@H+]3CCCC[C@H]23)nc1 ZINC000218046564 392996261 /nfs/dbraw/zinc/99/62/61/392996261.db2.gz QMPGMNYEHWSANV-GXTWGEPZSA-N 1 1 277.437 3.020 50 70 biogenic CGIAMO COc1ccc(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000160904780 372287615 /nfs/dbraw/zinc/28/76/15/372287615.db2.gz STJSPPTWUKQNDG-INIZCTEOSA-N 1 1 297.402 3.024 50 70 CGIAMO CCCCOc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@H]3O)cc1 ZINC000217697774 376180297 /nfs/dbraw/zinc/18/02/97/376180297.db2.gz VEWLHKOYWBCRMH-VQFNDLOPSA-N 1 1 289.419 3.068 50 70 CGIAMO Cc1ccc(CNC(=O)[C@H](C)n2cc[nH+]c2C(C)C)s1 ZINC000218283407 376187656 /nfs/dbraw/zinc/18/76/56/376187656.db2.gz ZGQBZELZVTWAOW-LBPRGKRZSA-N 1 1 291.420 3.254 50 70 CGIAMO CCc1nccc(C[N@H+](C)Cc2cccc(SC)c2)n1 ZINC000217180536 392994118 /nfs/dbraw/zinc/99/41/18/392994118.db2.gz AEZVULLNDQFWJO-UHFFFAOYSA-N 1 1 287.432 3.393 50 70 CGIAMO CCc1nccc(C[N@@H+](C)Cc2cccc(SC)c2)n1 ZINC000217180536 392994127 /nfs/dbraw/zinc/99/41/27/392994127.db2.gz AEZVULLNDQFWJO-UHFFFAOYSA-N 1 1 287.432 3.393 50 70 CGIAMO Cc1ccc(-c2ccc(C[N@@H+]3C[C@H]4CC[C@@H](C3)[C@H]4O)cc2)o1 ZINC000217025304 376171398 /nfs/dbraw/zinc/17/13/98/376171398.db2.gz WAHQTCOBJATLMS-DZFIZOCASA-N 1 1 297.398 3.458 50 70 CGIAMO CCCCc1ccc(CN2CC[N@H+](C)[C@@H](C)C2)s1 ZINC000217963958 392996221 /nfs/dbraw/zinc/99/62/21/392996221.db2.gz PNUSLUNKRALEHO-ZDUSSCGKSA-N 1 1 266.454 3.227 50 70 CGIAMO CCCCc1ccc(CN2CC[N@@H+](C)[C@@H](C)C2)s1 ZINC000217963958 392996229 /nfs/dbraw/zinc/99/62/29/392996229.db2.gz PNUSLUNKRALEHO-ZDUSSCGKSA-N 1 1 266.454 3.227 50 70 CGIAMO COc1ccc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000160904641 372288045 /nfs/dbraw/zinc/28/80/45/372288045.db2.gz STJSPPTWUKQNDG-MRXNPFEDSA-N 1 1 297.402 3.024 50 70 CGIAMO CCCC[C@@H]1CCC[N@H+]1Cc1cc(C(C)=O)cn1C ZINC000217946380 376181753 /nfs/dbraw/zinc/18/17/53/376181753.db2.gz NOCIXUDWWOOYLC-OAHLLOKOSA-N 1 1 262.397 3.382 50 70 CGIAMO COc1ccc(-n2cccn2)c(C[N@@H+](C)Cc2ccco2)c1 ZINC000218005528 392996095 /nfs/dbraw/zinc/99/60/95/392996095.db2.gz NWODBTKINRKKRZ-UHFFFAOYSA-N 1 1 297.358 3.106 50 70 CGIAMO c1cn(CC[N@H+]2CCC[C@@H](c3ccccc3)CC2)cn1 ZINC000159801135 275072536 /nfs/dbraw/zinc/07/25/36/275072536.db2.gz GCLZOZYHHOZPMQ-QGZVFWFLSA-N 1 1 269.392 3.153 50 70 CGIAMO Cc1ccc(CNn2cc(-c3ccccc3)[nH+]c2N)cc1 ZINC000216961924 376170431 /nfs/dbraw/zinc/17/04/31/376170431.db2.gz CBFOGZNSSXSKSW-UHFFFAOYSA-N 1 1 278.359 3.184 50 70 CGIAMO CO[C@@H]1CCOC[C@H]1Nc1cc[nH+]c2ccc(Cl)cc12 ZINC000217811018 376180038 /nfs/dbraw/zinc/18/00/38/376180038.db2.gz WOHTVOOGDICKLX-HUUCEWRRSA-N 1 1 292.766 3.104 50 70 CGIAMO Cc1ccc(CNC(=O)[C@@H](C)n2cc[nH+]c2C(C)C)s1 ZINC000218283318 376186741 /nfs/dbraw/zinc/18/67/41/376186741.db2.gz ZGQBZELZVTWAOW-GFCCVEGCSA-N 1 1 291.420 3.254 50 70 CGIAMO CCCc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)[C@H]3OC)o1 ZINC000217375633 376172432 /nfs/dbraw/zinc/17/24/32/376172432.db2.gz OOXHNKBDEPWMHP-VIKVFOODSA-N 1 1 263.381 3.089 50 70 CGIAMO Cc1ccc2ncccc2c1CN1CC[N@H+](C(C)C)[C@@H](C)C1 ZINC000217597465 376176791 /nfs/dbraw/zinc/17/67/91/376176791.db2.gz KJOWMQMAGFFDFY-INIZCTEOSA-N 1 1 297.446 3.458 50 70 CGIAMO Cc1ccc2ncccc2c1C[N@H+]1CCN(C(C)C)[C@@H](C)C1 ZINC000217597465 376176799 /nfs/dbraw/zinc/17/67/99/376176799.db2.gz KJOWMQMAGFFDFY-INIZCTEOSA-N 1 1 297.446 3.458 50 70 CGIAMO Cc1ccc2ncccc2c1C[N@@H+]1CCN(C(C)C)[C@@H](C)C1 ZINC000217597465 376176801 /nfs/dbraw/zinc/17/68/01/376176801.db2.gz KJOWMQMAGFFDFY-INIZCTEOSA-N 1 1 297.446 3.458 50 70 CGIAMO CCCC[C@H]1CCC[N@H+]1Cc1cc(C(C)=O)cn1C ZINC000217946457 392996422 /nfs/dbraw/zinc/99/64/22/392996422.db2.gz NOCIXUDWWOOYLC-HNNXBMFYSA-N 1 1 262.397 3.382 50 70 CGIAMO CSc1ccc(C[N@@H+](C)Cc2cn(C)nc2C)cc1 ZINC000160906429 372287373 /nfs/dbraw/zinc/28/73/73/372287373.db2.gz FNNPUQGYGOTEDL-UHFFFAOYSA-N 1 1 275.421 3.082 50 70 CGIAMO CC(C)c1cc(CN(C)CC[N@@H+](C)C2CCCC2)on1 ZINC000218660117 392997377 /nfs/dbraw/zinc/99/73/77/392997377.db2.gz RYUBCONHUDCMDZ-UHFFFAOYSA-N 1 1 279.428 3.104 50 70 CGIAMO