smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1C(=O)C(=CNN=c2[nH]c3c(c(=O)n(C)c(=O)n3C)n2C)C(=O)NC1=S ZINC000005919486 557680927 /nfs/dbraw/zinc/68/09/27/557680927.db2.gz ASOUAWWQHYKONI-SREVYHEPSA-N 0 0 406.428 -1.966 50 10 HACARN CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000006623755 569075344 /nfs/dbraw/zinc/07/53/44/569075344.db2.gz SEISZVSTYTWRRF-LASHMREHSA-N 0 0 423.466 -1.322 50 10 biogenic HACARN Cn1c2c([nH]c1=NNC=C1C(=O)N(C)C(=S)N(C)C1=O)n(C)c(=O)n(C)c2=O ZINC000008838307 571123423 /nfs/dbraw/zinc/12/34/23/571123423.db2.gz LAIYDBZTGVUKSV-UHFFFAOYSA-N 0 0 406.428 -2.014 50 10 HACARN CCN1C(=O)C(=CNN=c2[nH]c3c(c(=O)n(C)c(=O)n3C)n2C)C(=O)NC1=S ZINC000038176350 568975183 /nfs/dbraw/zinc/97/51/83/568975183.db2.gz ASOUAWWQHYKONI-VOTSOKGWSA-N 0 0 406.428 -1.125 50 10 HACARN CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000247954461 519701542 /nfs/dbraw/zinc/70/15/42/519701542.db2.gz SEISZVSTYTWRRF-JAZQRGJZSA-N 0 0 423.466 -1.322 50 10 HACARN CC(=O)N[C@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Oc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000247954463 559256503 /nfs/dbraw/zinc/25/65/03/559256503.db2.gz SEISZVSTYTWRRF-LCWAXJCOSA-N 0 0 423.466 -1.322 50 10 HACARN CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000247954465 519701622 /nfs/dbraw/zinc/70/16/22/519701622.db2.gz SEISZVSTYTWRRF-UJMXGEILSA-N 0 0 423.466 -1.322 50 10 HACARN CC(=O)N[C@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000247954466 519701470 /nfs/dbraw/zinc/70/14/70/519701470.db2.gz SEISZVSTYTWRRF-USYVTKNRSA-N 0 0 423.466 -1.322 50 10 HACARN