smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](c1ccncn1)N(C)C(=O)c1ccc(O)c(Cl)c1 ZINC000217336197 382785823 /nfs/dbraw/zinc/78/58/23/382785823.db2.gz FPWJMWODDLFVBJ-VIFPVBQESA-N 0 1 291.738 2.669 50 70 CFIAMN CCSCCC(=O)NCc1nc2cccc(C)c2[nH]1 ZINC000160485896 378775846 /nfs/dbraw/zinc/77/58/46/378775846.db2.gz KKYKVJBQRGFUCO-UHFFFAOYSA-N 0 1 277.393 2.631 50 70 CFIAMN CCCc1ccc(CN2CCN(CCSC)CC2)o1 ZINC000217477317 382786721 /nfs/dbraw/zinc/78/67/21/382786721.db2.gz JUXIUJZIIWRJJJ-UHFFFAOYSA-N 0 1 282.453 2.713 50 70 CFIAMN Cc1cc(CC(=O)N[C@@H](C)c2nc3ccc(C)cc3[nH]2)on1 ZINC000217884605 382788445 /nfs/dbraw/zinc/78/84/45/382788445.db2.gz UFHYJKAZQPMOHU-NSHDSACASA-N 0 1 298.346 2.588 50 70 CFIAMN O=C(CCNCc1ccc(Cl)cc1F)N1CCCC1 ZINC000160663349 348019828 /nfs/dbraw/zinc/01/98/28/348019828.db2.gz MVNKNJOCNUBDPH-UHFFFAOYSA-N 0 1 284.762 2.581 50 70 CFIAMN COCCCC1CCN(C(=O)c2ccc(F)cc2O)CC1 ZINC000218587216 393758270 /nfs/dbraw/zinc/75/82/70/393758270.db2.gz JSJFAVIGUXCSIH-UHFFFAOYSA-N 0 1 295.354 2.810 50 70 CFIAMN Cc1cc(C[C@H](C)NC(=O)c2ccc3c(c2)CCCC3)n[nH]1 ZINC000161258483 188518365 /nfs/dbraw/zinc/51/83/65/188518365.db2.gz MXGXDYDYQWAFMQ-LBPRGKRZSA-N 0 1 297.402 2.958 50 70 CFIAMN CC[C@H](Nc1cc(C2CC(O)C2)nc(N)n1)c1ccccc1 ZINC000218741985 382790517 /nfs/dbraw/zinc/79/05/17/382790517.db2.gz UOUPNUOMTDHTDJ-RUXDESIVSA-N 0 1 298.390 2.860 50 70 CFIAMN Cc1[nH]ncc1CN(C)C(=O)c1scc2c1CCCC2 ZINC000218197090 382789322 /nfs/dbraw/zinc/78/93/22/382789322.db2.gz OIWBCZAOUIFYSC-UHFFFAOYSA-N 0 1 289.404 2.931 50 70 CFIAMN Cc1cc(CC(=O)N[C@H](C)c2nc3ccc(C)cc3[nH]2)on1 ZINC000217884682 382788435 /nfs/dbraw/zinc/78/84/35/382788435.db2.gz UFHYJKAZQPMOHU-LLVKDONJSA-N 0 1 298.346 2.588 50 70 CFIAMN Cc1ccc(C[C@@H]2CC(=O)N(c3ccccc3)C2)c(N)n1 ZINC000218442881 382790309 /nfs/dbraw/zinc/79/03/09/382790309.db2.gz UCHZVAIYUJUBHI-CYBMUJFWSA-N 0 1 281.359 2.568 50 70 CFIAMN O=C(NC[C@H](c1ccccc1)N1CCCCC1)c1cnco1 ZINC000218009241 382788950 /nfs/dbraw/zinc/78/89/50/382788950.db2.gz CCSVXIQFNSFSSN-OAHLLOKOSA-N 0 1 299.374 2.632 50 70 CFIAMN CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)Cc1ccsc1 ZINC000218066507 382788931 /nfs/dbraw/zinc/78/89/31/382788931.db2.gz NZAXLBSZPOGPNI-UHFFFAOYSA-N 0 1 291.420 2.970 50 70 CFIAMN Cc1ccc(C[C@H]2CC(=O)N(c3ccccc3)C2)c(N)n1 ZINC000218442968 382790334 /nfs/dbraw/zinc/79/03/34/382790334.db2.gz UCHZVAIYUJUBHI-ZDUSSCGKSA-N 0 1 281.359 2.568 50 70 CFIAMN CCN(C)Cc1cnc(NCc2ccccc2)nc1 ZINC000218309835 382789769 /nfs/dbraw/zinc/78/97/69/382789769.db2.gz AISGXWHOGFANFR-UHFFFAOYSA-N 0 1 256.353 2.540 50 70 CFIAMN Cc1cc(C[C@@H](C)NC(=O)c2ccc3c(c2)CCCC3)n[nH]1 ZINC000161258373 378834211 /nfs/dbraw/zinc/83/42/11/378834211.db2.gz MXGXDYDYQWAFMQ-GFCCVEGCSA-N 0 1 297.402 2.958 50 70 CFIAMN CCc1nccc(CN2CCN(C)[C@@H](c3ccccc3)C2)n1 ZINC000217446765 382786989 /nfs/dbraw/zinc/78/69/89/382786989.db2.gz OBKXHQJKOIZEBV-QGZVFWFLSA-N 0 1 296.418 2.528 50 70 CFIAMN C[C@H](c1ccncn1)N(C)C(=O)c1ccc(O)c(Cl)c1 ZINC000217336288 382785733 /nfs/dbraw/zinc/78/57/33/382785733.db2.gz FPWJMWODDLFVBJ-SECBINFHSA-N 0 1 291.738 2.669 50 70 CFIAMN Cc1cccc(CN2CCN(C)[C@@H](c3ccccc3)C2)n1 ZINC000217198495 393756642 /nfs/dbraw/zinc/75/66/42/393756642.db2.gz VTXDCMFQXRPPMT-GOSISDBHSA-N 0 1 281.403 2.879 50 70 CFIAMN CC(C)c1n[nH]c(NC(=O)CCc2c[nH]c3ccccc23)n1 ZINC000218147066 382789490 /nfs/dbraw/zinc/78/94/90/382789490.db2.gz ADDYKXQIYVJDLE-UHFFFAOYSA-N 0 1 297.362 2.981 50 70 CFIAMN CC(C)c1nc(NC(=O)CCc2c[nH]c3ccccc23)n[nH]1 ZINC000218147066 382789491 /nfs/dbraw/zinc/78/94/91/382789491.db2.gz ADDYKXQIYVJDLE-UHFFFAOYSA-N 0 1 297.362 2.981 50 70 CFIAMN Cc1ccc(Cl)c(C(=O)N2CC(N3CCCCC3)C2)c1 ZINC000218257948 382789976 /nfs/dbraw/zinc/78/99/76/382789976.db2.gz KCWJFFUFEAITJT-UHFFFAOYSA-N 0 1 292.810 2.959 50 70 CFIAMN C[C@@H]1CN(Cc2ccc3ccn(C)c3c2)C[C@H](C)O1 ZINC000218677979 382790676 /nfs/dbraw/zinc/79/06/76/382790676.db2.gz QTHZHGDKFXKKLH-BETUJISGSA-N 0 1 258.365 2.788 50 70 CFIAMN Cc1cn[nH]c1C1CCN(C(=O)c2cccs2)CC1 ZINC000217172770 393756793 /nfs/dbraw/zinc/75/67/93/393756793.db2.gz UDSWXXGSAGUDGX-UHFFFAOYSA-N 0 1 275.377 2.799 50 70 CFIAMN CC(C)Cc1n[nH]c(NC(=O)c2cc3ccccc3[nH]2)n1 ZINC000218569173 393758512 /nfs/dbraw/zinc/75/85/12/393758512.db2.gz ZFPDXQXDFXQOOH-UHFFFAOYSA-N 0 1 283.335 2.737 50 70 CFIAMN CC(C)Cc1nc(NC(=O)c2cc3ccccc3[nH]2)n[nH]1 ZINC000218569173 393758513 /nfs/dbraw/zinc/75/85/13/393758513.db2.gz ZFPDXQXDFXQOOH-UHFFFAOYSA-N 0 1 283.335 2.737 50 70 CFIAMN O=C(NC[C@@H](c1ccccc1)N1CCCCC1)c1cnco1 ZINC000218009155 397620941 /nfs/dbraw/zinc/62/09/41/397620941.db2.gz CCSVXIQFNSFSSN-HNNXBMFYSA-N 0 1 299.374 2.632 50 70 CFIAMN O=C(CCCn1cccc1)Nc1cccc(-c2nnc[nH]2)c1 ZINC000159529976 526470765 /nfs/dbraw/zinc/47/07/65/526470765.db2.gz WGULXNIUZWKNIH-UHFFFAOYSA-N 0 1 295.346 2.692 50 70 CFIAMN CCCn1ccnc1CN1CCN(C)[C@@H](c2ccccc2)C1 ZINC000217061577 570307651 /nfs/dbraw/zinc/30/76/51/570307651.db2.gz OMZAGCBHUDUEEA-QGZVFWFLSA-N 0 1 298.434 2.782 50 70 CFIAMN CN1C[C@@H]2CC[C@H]1CN(C(=O)c1cc3ccccc3o1)C2 ZINC000217473598 382786827 /nfs/dbraw/zinc/78/68/27/382786827.db2.gz GQDUSCHPKXSTON-JSGCOSHPSA-N 0 1 284.359 2.599 50 70 CFIAMN