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](N[C@H](c1ccccc1)c1ccncc1)c1ccc(N2CCOCC2)cc1 ZINC000156234408 1086659601 /nfs/dbraw/zinc/65/96/01/1086659601.db2.gz OIMYLJCXCRWVFS-YADARESESA-N 0 1 373.500 4.358 10 10 FICEMN CC(C)c1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185684399 1101743467 /nfs/dbraw/zinc/74/34/67/1101743467.db2.gz NIEVUUUUZWTQRQ-KSSFIOAISA-N 0 1 354.498 4.172 10 10 FICEMN COc1ccc([C@H](C)NCc2cc(F)ccc2Br)c(O)c1 ZINC000038039032 204786276 /nfs/dbraw/zinc/78/62/76/204786276.db2.gz YMWXXJQJGNEZQT-JTQLQIEISA-N 0 1 354.219 4.153 10 10 FICEMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)N(c2ccc(C)cc2)N=C1C ZINC000055437634 571309009 /nfs/dbraw/zinc/30/90/09/571309009.db2.gz WLAPBRLNBZUXEQ-MOSHPQCFSA-N 0 1 372.428 4.001 10 10 FICEMN Cc1nc([C@H](N[C@@H](C)c2ccc3ccccc3c2O)c2ccccc2)n[nH]1 ZINC000185324516 1101700382 /nfs/dbraw/zinc/70/03/82/1101700382.db2.gz ADICLLDKOOMVET-VBKZILBWSA-N 0 1 358.445 4.412 10 10 FICEMN CC(C)c1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc2ccccc2c1O ZINC000185684256 1101743334 /nfs/dbraw/zinc/74/33/34/1101743334.db2.gz XNWUJFZEAHJCMY-KBXCAEBGSA-N 0 1 350.466 4.446 10 10 FICEMN CC(C)c1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc2ccccc2c1O ZINC000185684274 1101743601 /nfs/dbraw/zinc/74/36/01/1101743601.db2.gz XNWUJFZEAHJCMY-KDOFPFPSSA-N 0 1 350.466 4.446 10 10 FICEMN C[C@@H](N[C@H](c1ccccc1)c1ccncc1)c1ccc(N2CCOCC2)cc1 ZINC000156234536 1086659821 /nfs/dbraw/zinc/65/98/21/1086659821.db2.gz OIMYLJCXCRWVFS-NTKDMRAZSA-N 0 1 373.500 4.358 10 10 FICEMN C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000248528644 1099399121 /nfs/dbraw/zinc/39/91/21/1099399121.db2.gz WGMYHCDOZKTSAL-ZRGWGRIASA-N 0 1 359.901 4.002 10 10 FICEMN Cc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1C1CC1 ZINC000059182359 205280268 /nfs/dbraw/zinc/28/02/68/205280268.db2.gz YGLABGRETOIAKZ-BOPFTXTBSA-N 0 1 355.438 4.075 10 10 FICEMN C[C@@H](N[C@@H](c1ccccc1)c1ccncc1)c1ccc(N2CCOCC2)cc1 ZINC000156234272 1086659831 /nfs/dbraw/zinc/65/98/31/1086659831.db2.gz OIMYLJCXCRWVFS-DVECYGJZSA-N 0 1 373.500 4.358 10 10 FICEMN C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000248528641 1099399581 /nfs/dbraw/zinc/39/95/81/1099399581.db2.gz WGMYHCDOZKTSAL-YZVOILCLSA-N 0 1 359.901 4.002 10 10 FICEMN O=C([O-])[C@@H]1CCC[N@@H+](CCC=C2c3ccccc3CCc3ccccc32)C1 ZINC000003964201 204116458 /nfs/dbraw/zinc/11/64/58/204116458.db2.gz RXWDEUWOJGGNHU-HXUWFJFHSA-N 0 1 361.485 4.404 10 10 FICEMN CC1(C)OC(=O)C(=CNc2ccc(N=Nc3ccccc3)cc2)C(=O)O1 ZINC000010121534 207295419 /nfs/dbraw/zinc/29/54/19/207295419.db2.gz HGEGSWZIZWNWOD-QURGRASLSA-N 0 1 351.362 4.234 10 10 FICEMN CC[C@H]([NH2+]C[C@H](C)N1CCCCC1)c1cc(Br)ccc1[O-] ZINC000038028576 207815826 /nfs/dbraw/zinc/81/58/26/207815826.db2.gz MKQPCJAGQILTGE-BBRMVZONSA-N 0 1 355.320 4.070 10 10 FICEMN C[C@H](N[C@@H](c1ccccc1)c1ccncc1)c1ccc(N2CCOCC2)cc1 ZINC000156234144 1086659748 /nfs/dbraw/zinc/65/97/48/1086659748.db2.gz OIMYLJCXCRWVFS-CYFREDJKSA-N 0 1 373.500 4.358 10 10 FICEMN Cc1nc([C@@H](N[C@@H](C)c2ccc3ccccc3c2O)c2ccccc2)n[nH]1 ZINC000185324532 1101700118 /nfs/dbraw/zinc/70/01/18/1101700118.db2.gz ADICLLDKOOMVET-XOBRGWDASA-N 0 1 358.445 4.412 10 10 FICEMN CC(C)c1nc2n(n1)CCC[C@@H]2N[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185684432 1101742451 /nfs/dbraw/zinc/74/24/51/1101742451.db2.gz NIEVUUUUZWTQRQ-KDOFPFPSSA-N 0 1 354.498 4.172 10 10 FICEMN COc1cccc(-c2ccc([O-])c(C[NH2+]Cc3ccc(Cl)cc3)c2)n1 ZINC000012245893 207350901 /nfs/dbraw/zinc/35/09/01/207350901.db2.gz VTHNVWFKIXOSRY-UHFFFAOYSA-N 0 1 354.837 4.406 10 10 FICEMN O=C([O-])[C@H]1CCC[N@@H+](CCC=C2c3ccccc3CCc3ccccc32)C1 ZINC000013863078 571323317 /nfs/dbraw/zinc/32/33/17/571323317.db2.gz RXWDEUWOJGGNHU-FQEVSTJZSA-N 0 1 361.485 4.404 10 10 FICEMN Oc1ccc(Cl)c(F)c1CN[C@H](c1ncon1)c1ccc(Cl)cc1 ZINC000191503941 1101944095 /nfs/dbraw/zinc/94/40/95/1101944095.db2.gz RJTBATBTPJHWLJ-HNNXBMFYSA-N 0 1 368.195 4.100 10 10 FICEMN CC(C)c1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccc2ccccc2c1O ZINC000185684295 1101742324 /nfs/dbraw/zinc/74/23/24/1101742324.db2.gz XNWUJFZEAHJCMY-RDTXWAMCSA-N 0 1 350.466 4.446 10 10 FICEMN CC(C)c1nc2n(n1)CCC[C@H]2N[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000185684413 1101742716 /nfs/dbraw/zinc/74/27/16/1101742716.db2.gz NIEVUUUUZWTQRQ-KBXCAEBGSA-N 0 1 354.498 4.172 10 10 FICEMN CC1=NN(c2ccccc2)C(=O)C1=NNc1ccc(N2CCOCC2)cc1 ZINC000252622654 571288350 /nfs/dbraw/zinc/28/83/50/571288350.db2.gz NZTHPWCZWGUMLZ-UHFFFAOYSA-N 0 1 363.421 4.138 10 10 FICEMN Cc1nc([C@H](N[C@H](C)c2ccc3ccccc3c2O)c2ccccc2)n[nH]1 ZINC000185324549 1101700802 /nfs/dbraw/zinc/70/08/02/1101700802.db2.gz ADICLLDKOOMVET-JLTOFOAXSA-N 0 1 358.445 4.412 10 10 FICEMN CC(C)c1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc2ccccc2c1O ZINC000185684239 1101742890 /nfs/dbraw/zinc/74/28/90/1101742890.db2.gz XNWUJFZEAHJCMY-KSSFIOAISA-N 0 1 350.466 4.446 10 10 FICEMN Oc1ccc(Cl)c(F)c1CN[C@@H](c1ncon1)c1ccc(Cl)cc1 ZINC000191503957 1101944695 /nfs/dbraw/zinc/94/46/95/1101944695.db2.gz RJTBATBTPJHWLJ-OAHLLOKOSA-N 0 1 368.195 4.100 10 10 FICEMN CC[C@H]([NH2+]Cc1ccccc1OC)c1cc(Br)ccc1[O-] ZINC000019903229 220303560 /nfs/dbraw/zinc/30/35/60/220303560.db2.gz PWXRXTPECICMOV-HNNXBMFYSA-N 0 1 350.256 4.404 10 10 FICEMN C[C@H](N[C@H](c1ccccc1)c1cccnc1)c1ccc(N2CCOCC2)cc1 ZINC000178606449 1101535271 /nfs/dbraw/zinc/53/52/71/1101535271.db2.gz DZDNQIOLMRDFKH-YADARESESA-N 0 1 373.500 4.358 10 10 FICEMN C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)c1cc(Cl)ccc1[O-] ZINC000185472708 1101701501 /nfs/dbraw/zinc/70/15/01/1101701501.db2.gz WGMYHCDOZKTSAL-VCBZYWHSSA-N 0 1 359.901 4.002 10 10 FICEMN C[C@H]([NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1cc(Cl)ccc1[O-] ZINC000185472729 1101701589 /nfs/dbraw/zinc/70/15/89/1101701589.db2.gz WGMYHCDOZKTSAL-DOXZYTNZSA-N 0 1 359.901 4.002 10 10 FICEMN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ncc(-c2ccccc2)cn1 ZINC000185874689 1101750354 /nfs/dbraw/zinc/75/03/54/1101750354.db2.gz LQABHPNXIHRBEL-UHFFFAOYSA-N 0 1 360.244 4.446 10 10 FICEMN C[C@H](N[C@@H](c1ccccc1)c1cccnc1)c1ccc(N2CCOCC2)cc1 ZINC000178606429 1101535144 /nfs/dbraw/zinc/53/51/44/1101535144.db2.gz DZDNQIOLMRDFKH-CYFREDJKSA-N 0 1 373.500 4.358 10 10 FICEMN CC[C@@H]([NH2+]Cc1ccccc1OC)c1cc(Br)ccc1[O-] ZINC000019903228 220303637 /nfs/dbraw/zinc/30/36/37/220303637.db2.gz PWXRXTPECICMOV-OAHLLOKOSA-N 0 1 350.256 4.404 10 10 FICEMN Cc1nc([C@@H](N[C@H](C)c2ccc3ccccc3c2O)c2ccccc2)n[nH]1 ZINC000185324566 1101700264 /nfs/dbraw/zinc/70/02/64/1101700264.db2.gz ADICLLDKOOMVET-VLIAUNLRSA-N 0 1 358.445 4.412 10 10 FICEMN C[C@@H](N[C@H](c1ccccc1)c1cccnc1)c1ccc(N2CCOCC2)cc1 ZINC000178606457 1101535588 /nfs/dbraw/zinc/53/55/88/1101535588.db2.gz DZDNQIOLMRDFKH-NTKDMRAZSA-N 0 1 373.500 4.358 10 10 FICEMN C[C@@H](N[C@@H](c1ccccc1)c1cccnc1)c1ccc(N2CCOCC2)cc1 ZINC000178606440 1101534779 /nfs/dbraw/zinc/53/47/79/1101534779.db2.gz DZDNQIOLMRDFKH-DVECYGJZSA-N 0 1 373.500 4.358 10 10 FICEMN CC(C)c1nc2n(n1)CCC[C@H]2N[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000185684451 1101742791 /nfs/dbraw/zinc/74/27/91/1101742791.db2.gz NIEVUUUUZWTQRQ-RDTXWAMCSA-N 0 1 354.498 4.172 10 10 FICEMN