smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(O)ccc1NS(=O)(=O)N(C)C ZINC000045929451 178200588 /nfs/dbraw/zinc/20/05/88/178200588.db2.gz WWXDYWDYEXDFPR-UHFFFAOYSA-N 0 0 230.289 0.919 20 10 BCCDRN Cc1ccc(C(=O)N(C)[C@H](C)CO)c(O)c1O ZINC000182899089 178381523 /nfs/dbraw/zinc/38/15/23/178381523.db2.gz OYKKOSWOGNAQJU-MRVPVSSYSA-N 0 0 239.271 0.859 20 10 BCCDRN O=C1NC(=S)S/C1=C\c1cn[nH]c1 ZINC000226263179 345772186 /nfs/dbraw/zinc/77/21/86/345772186.db2.gz FMVCYIKSCMSUQW-KTAJNNJTSA-N 0 0 211.271 0.899 20 10 BCCDRN O=C1N[C@@H](c2ccccc2O)N2CCOC[C@H]12 ZINC000093884080 360286269 /nfs/dbraw/zinc/28/62/69/360286269.db2.gz OIJOIZVLEZEOBQ-MWLCHTKSSA-N 0 0 234.255 0.221 20 10 BCCDRN O=C(NCc1ccccc1O)[C@H]1CNC(=O)C1 ZINC000133748550 182772757 /nfs/dbraw/zinc/77/27/57/182772757.db2.gz KIEYEUWHYPGVCR-SECBINFHSA-N 0 0 234.255 0.145 20 10 BCCDRN [O-]c1c(F)cccc1C[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000274897537 183128938 /nfs/dbraw/zinc/12/89/38/183128938.db2.gz GEVAAXUOAVHBNQ-UWVGGRQHSA-N 0 0 241.262 0.459 20 10 BCCDRN CN(C)c1ccc([C@@H]2NC(=O)CN2C)cc1 ZINC000298804384 383999931 /nfs/dbraw/zinc/99/99/31/383999931.db2.gz YLLSAAOARKGESL-GFCCVEGCSA-N 0 0 219.288 0.813 20 10 BCCDRN CN(CC(N)=O)Cc1c(O)cccc1Cl ZINC000132599629 384198648 /nfs/dbraw/zinc/19/86/48/384198648.db2.gz NJUQGIMRMXERLV-UHFFFAOYSA-N 0 0 228.679 0.963 20 10 BCCDRN CN(C)c1ccc(CNS(N)(=O)=O)cc1 ZINC000074038861 384273408 /nfs/dbraw/zinc/27/34/08/384273408.db2.gz ITQMIBVPRNPFJX-UHFFFAOYSA-N 0 0 229.305 0.046 20 10 BCCDRN Nc1ccc(NC(=O)[C@H]2CNC(=O)C2)cc1 ZINC000123033678 384532229 /nfs/dbraw/zinc/53/22/29/384532229.db2.gz UIPJVMIHPWYCBN-SSDOTTSWSA-N 0 0 219.244 0.343 20 10 BCCDRN C[C@H](CO)CNC(=O)c1cccc(O)c1O ZINC000163282429 384785155 /nfs/dbraw/zinc/78/51/55/384785155.db2.gz IQQISEZJZMGWQA-ZETCQYMHSA-N 0 0 225.244 0.456 20 10 BCCDRN O=C(c1cccc(O)c1O)N1CCC[C@@H](O)C1 ZINC000126286956 384788721 /nfs/dbraw/zinc/78/87/21/384788721.db2.gz JIIUJHMAHXPQKF-MRVPVSSYSA-N 0 0 237.255 0.695 20 10 BCCDRN COC(=O)[C@H](NCc1ccccc1O)[C@@H](C)O ZINC000191020901 385277332 /nfs/dbraw/zinc/27/73/32/385277332.db2.gz ZRNAREVBPDQBRS-LDYMZIIASA-N 0 0 239.271 0.404 20 10 BCCDRN CC(C)(O)CCNC(=O)c1cccc(O)c1O ZINC000280539302 385330270 /nfs/dbraw/zinc/33/02/70/385330270.db2.gz SLIHANROUPVCRM-UHFFFAOYSA-N 0 0 239.271 0.989 20 10 BCCDRN CN(Cc1nnn(C)n1)c1ccc2c(c1)OCO2 ZINC000193000156 385381025 /nfs/dbraw/zinc/38/10/25/385381025.db2.gz KCINOVHKHAKDCF-UHFFFAOYSA-N 0 0 247.258 0.575 20 10 BCCDRN C[C@@H](O)C(=O)NCc1ccc2c(c1)CCN2C ZINC000364450802 385447195 /nfs/dbraw/zinc/44/71/95/385447195.db2.gz UHAZKWHDAWLOLU-SECBINFHSA-N 0 0 234.299 0.676 20 10 BCCDRN COC(=O)COc1ccc(N(C)CCO)cc1 ZINC000183801408 385796728 /nfs/dbraw/zinc/79/67/28/385796728.db2.gz JDPUQOCLUDTGOM-UHFFFAOYSA-N 0 0 239.271 0.667 20 10 BCCDRN COC(=O)C1(C(=O)NCc2ccccc2O)CC1 ZINC000274398388 386100563 /nfs/dbraw/zinc/10/05/63/386100563.db2.gz 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