smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(CN2CCN(C(=O)C[N@@H+](C)CC(C)(CO)CO)CC2)c1 ZINC000159596706 488786192 /nfs/dbraw/zinc/78/61/92/488786192.db2.gz YXBMWIWHNGGIAM-UHFFFAOYSA-N 2 1 363.502 0.562 20 70 FCIDMP Cc1cccc(CN2CCN(C(=O)C[N@H+](C)CC(C)(CO)CO)CC2)c1 ZINC000159596706 488786193 /nfs/dbraw/zinc/78/61/93/488786193.db2.gz YXBMWIWHNGGIAM-UHFFFAOYSA-N 2 1 363.502 0.562 20 70 FCIDMP C[C@@H](CNC(=O)NCCCC[NH+]1CCN(C)CC1)C[NH+]1CCOCC1 ZINC000160433623 488791637 /nfs/dbraw/zinc/79/16/37/488791637.db2.gz RYDHYTOHUKSMAV-KRWDZBQOSA-N 2 1 355.527 0.282 20 70 FCIDMP CCCNC(=O)C[NH+]1CCC(NC(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000160010098 488788981 /nfs/dbraw/zinc/78/89/81/488788981.db2.gz MZBKAIIPLBPNEU-HNNXBMFYSA-N 2 1 356.536 0.531 20 70 FCIDMP CCCNC(=O)C[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000160010098 488788982 /nfs/dbraw/zinc/78/89/82/488788982.db2.gz MZBKAIIPLBPNEU-HNNXBMFYSA-N 2 1 356.536 0.531 20 70 FCIDMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000159988816 488788931 /nfs/dbraw/zinc/78/89/31/488788931.db2.gz XZONYZODCCXHAW-GOSISDBHSA-N 2 1 369.554 0.358 20 70 FCIDMP O=C(NCC1CC[NH+](CCO)CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000160641447 488792822 /nfs/dbraw/zinc/79/28/22/488792822.db2.gz FDWMLKPXQMNZPV-IBGZPJMESA-N 2 1 361.486 0.708 20 70 FCIDMP O=C(NCC1CC[NH+](CCO)CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000160641447 488792823 /nfs/dbraw/zinc/79/28/23/488792823.db2.gz FDWMLKPXQMNZPV-IBGZPJMESA-N 2 1 361.486 0.708 20 70 FCIDMP Cn1cc[nH+]c1N1CCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000159416233 488785099 /nfs/dbraw/zinc/78/50/99/488785099.db2.gz JTILZLMWGMQBNI-GOSISDBHSA-N 2 1 370.501 0.961 20 70 FCIDMP C[N@@H+](CC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@H]1CCSC1 ZINC000159509519 488785562 /nfs/dbraw/zinc/78/55/62/488785562.db2.gz QEPKZYIHQBZDEZ-INIZCTEOSA-N 2 1 363.531 0.887 20 70 FCIDMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000159548176 528740691 /nfs/dbraw/zinc/74/06/91/528740691.db2.gz NKKIBDOPCLNTQQ-INIZCTEOSA-N 2 1 353.511 0.521 20 70 FCIDMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000159548176 528740694 /nfs/dbraw/zinc/74/06/94/528740694.db2.gz NKKIBDOPCLNTQQ-INIZCTEOSA-N 2 1 353.511 0.521 20 70 FCIDMP C[C@H](CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)C[NH+]1CCOCC1 ZINC000160381865 488791262 /nfs/dbraw/zinc/79/12/62/488791262.db2.gz XHJQEKDOIUIERK-IAGOWNOFSA-N 2 1 368.522 0.755 20 70 FCIDMP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000160751948 488793753 /nfs/dbraw/zinc/79/37/53/488793753.db2.gz GUFSMBSIIHHVNF-QGZVFWFLSA-N 2 1 365.522 0.666 20 70 FCIDMP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000160906599 527966452 /nfs/dbraw/zinc/96/64/52/527966452.db2.gz ZWVZRWSYGZEEAL-MJGOQNOKSA-N 2 1 370.538 0.879 20 70 FCIDMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000160906599 527966457 /nfs/dbraw/zinc/96/64/57/527966457.db2.gz ZWVZRWSYGZEEAL-MJGOQNOKSA-N 2 1 370.538 0.879 20 70 FCIDMP C[C@H](CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C[NH+]1CCOCC1 ZINC000160381592 488790810 /nfs/dbraw/zinc/79/08/10/488790810.db2.gz XHJQEKDOIUIERK-SJORKVTESA-N 2 1 368.522 0.755 20 70 FCIDMP CCCNC(=O)C[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000160009968 488788859 /nfs/dbraw/zinc/78/88/59/488788859.db2.gz MZBKAIIPLBPNEU-OAHLLOKOSA-N 2 1 356.536 0.531 20 70 FCIDMP CCCNC(=O)C[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000160009968 488788861 /nfs/dbraw/zinc/78/88/61/488788861.db2.gz MZBKAIIPLBPNEU-OAHLLOKOSA-N 2 1 356.536 0.531 20 70 FCIDMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000159548318 527847524 /nfs/dbraw/zinc/84/75/24/527847524.db2.gz NKKIBDOPCLNTQQ-MRXNPFEDSA-N 2 1 353.511 0.521 20 70 FCIDMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000159548318 527847527 /nfs/dbraw/zinc/84/75/27/527847527.db2.gz NKKIBDOPCLNTQQ-MRXNPFEDSA-N 2 1 353.511 0.521 20 70 FCIDMP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000160906754 527969979 /nfs/dbraw/zinc/96/99/79/527969979.db2.gz ZWVZRWSYGZEEAL-HKUYNNGSSA-N 2 1 370.538 0.879 20 70 FCIDMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000160906754 527969983 /nfs/dbraw/zinc/96/99/83/527969983.db2.gz ZWVZRWSYGZEEAL-HKUYNNGSSA-N 2 1 370.538 0.879 20 70 FCIDMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC[N@H+](CC)CC2)CC1 ZINC000159645775 488786336 /nfs/dbraw/zinc/78/63/36/488786336.db2.gz JABWGNFPFUUUQS-UHFFFAOYSA-N 2 1 353.511 0.714 20 70 FCIDMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC[N@@H+](CC)CC2)CC1 ZINC000159645775 488786339 /nfs/dbraw/zinc/78/63/39/488786339.db2.gz JABWGNFPFUUUQS-UHFFFAOYSA-N 2 1 353.511 0.714 20 70 FCIDMP C[C@@H](CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C[NH+]1CCOCC1 ZINC000160381457 488790930 /nfs/dbraw/zinc/79/09/30/488790930.db2.gz XHJQEKDOIUIERK-IRXDYDNUSA-N 2 1 368.522 0.755 20 70 FCIDMP CNC(=O)C[NH+]1CCC(NC(=O)N(CC[NH+](C)C)C2CCCC2)CC1 ZINC000160448215 488791756 /nfs/dbraw/zinc/79/17/56/488791756.db2.gz AUVSJUOQHQFDQP-UHFFFAOYSA-N 2 1 353.511 0.713 20 70 FCIDMP Cn1cc[nH+]c1N1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000159416086 488785108 /nfs/dbraw/zinc/78/51/08/488785108.db2.gz JTILZLMWGMQBNI-SFHVURJKSA-N 2 1 370.501 0.961 20 70 FCIDMP CC[N@H+]1CCCN(C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000159796715 529025278 /nfs/dbraw/zinc/02/52/78/529025278.db2.gz JQYWNYRRQDOGCC-MRXNPFEDSA-N 2 1 353.511 0.666 20 70 FCIDMP CC[NH+]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000159796715 529025283 /nfs/dbraw/zinc/02/52/83/529025283.db2.gz JQYWNYRRQDOGCC-MRXNPFEDSA-N 2 1 353.511 0.666 20 70 FCIDMP CC[NH+]1CCCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000159796715 529025289 /nfs/dbraw/zinc/02/52/89/529025289.db2.gz JQYWNYRRQDOGCC-MRXNPFEDSA-N 2 1 353.511 0.666 20 70 FCIDMP Cc1ccccc1C[NH+]1CCN(C(=O)CN(C)CC(C)(CO)CO)CC1 ZINC000159560005 488786399 /nfs/dbraw/zinc/78/63/99/488786399.db2.gz CJKKXIFRWBMQPN-UHFFFAOYSA-N 2 1 363.502 0.562 20 70 FCIDMP C[C@@H](CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)C[NH+]1CCOCC1 ZINC000160381723 488790805 /nfs/dbraw/zinc/79/08/05/488790805.db2.gz XHJQEKDOIUIERK-DLBZAZTESA-N 2 1 368.522 0.755 20 70 FCIDMP C[N@@H+](CC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@@H]1CCSC1 ZINC000159509382 488785751 /nfs/dbraw/zinc/78/57/51/488785751.db2.gz QEPKZYIHQBZDEZ-MRXNPFEDSA-N 2 1 363.531 0.887 20 70 FCIDMP CC[NH+](CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000160752067 488793727 /nfs/dbraw/zinc/79/37/27/488793727.db2.gz GUFSMBSIIHHVNF-KRWDZBQOSA-N 2 1 365.522 0.666 20 70 FCIDMP C[NH+]1CCN([C@H](C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000160488645 488791780 /nfs/dbraw/zinc/79/17/80/488791780.db2.gz OLOIWAJHAKDDIL-UXHICEINSA-N 2 1 374.529 0.938 20 70 FCIDMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000160386617 488791211 /nfs/dbraw/zinc/79/12/11/488791211.db2.gz PTNCJFOCVIUONR-UHFFFAOYSA-N 2 1 367.538 0.960 20 70 FCIDMP C[NH+]1CCN([C@@H](C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000160488741 488791558 /nfs/dbraw/zinc/79/15/58/488791558.db2.gz OLOIWAJHAKDDIL-WOJBJXKFSA-N 2 1 374.529 0.938 20 70 FCIDMP O=C(NCC1CC[NH+](CCO)CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000160641583 488792860 /nfs/dbraw/zinc/79/28/60/488792860.db2.gz FDWMLKPXQMNZPV-LJQANCHMSA-N 2 1 361.486 0.708 20 70 FCIDMP O=C(NCC1CC[NH+](CCO)CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000160641583 488792862 /nfs/dbraw/zinc/79/28/62/488792862.db2.gz FDWMLKPXQMNZPV-LJQANCHMSA-N 2 1 361.486 0.708 20 70 FCIDMP C[C@H](CNC(=O)NCCCC[NH+]1CCN(C)CC1)C[NH+]1CCOCC1 ZINC000160433715 488791788 /nfs/dbraw/zinc/79/17/88/488791788.db2.gz RYDHYTOHUKSMAV-QGZVFWFLSA-N 2 1 355.527 0.282 20 70 FCIDMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000159988695 488788326 /nfs/dbraw/zinc/78/83/26/488788326.db2.gz XZONYZODCCXHAW-SFHVURJKSA-N 2 1 369.554 0.358 20 70 FCIDMP