smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001295367419 1063332455 /nfs/dbraw/zinc/33/24/55/1063332455.db2.gz SYYVLGGFTZJSMT-IBGZPJMESA-N 2 0 471.606 2.885 20 5 JFBDRP CC(C)[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001291290158 1063663199 /nfs/dbraw/zinc/66/31/99/1063663199.db2.gz VRFNLTLLNFZVJG-BGYRXZFFSA-N 2 0 471.606 2.883 20 5 JFBDRP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CC[NH+](C)C(C)(C)C2)C[C@@H]1C ZINC001295979639 1064027624 /nfs/dbraw/zinc/02/76/24/1064027624.db2.gz WTRQTCPXXZHTOK-VQTJNVASSA-N 2 0 484.649 2.798 20 5 JFBDRP CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CC[NH+](C)C(C)(C)C2)C[C@H]1C ZINC001295979640 1064028059 /nfs/dbraw/zinc/02/80/59/1064028059.db2.gz WTRQTCPXXZHTOK-WOJBJXKFSA-N 2 0 484.649 2.798 20 5 JFBDRP CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC001296183500 1064328154 /nfs/dbraw/zinc/32/81/54/1064328154.db2.gz DOKMRKISJSDYLX-RTWAWAEBSA-N 2 0 484.649 2.657 20 5 JFBDRP CC(C)C[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2CC[NH+](CCN(C)C)CC2)CC1 ZINC001287751747 1063078848 /nfs/dbraw/zinc/07/88/48/1063078848.db2.gz SCVYKNVRDGXVJR-UHFFFAOYSA-N 2 0 498.676 2.905 20 5 JFBDRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CC[NH+](C)C(C)(C)C2)C[C@H]1C ZINC001295979638 1064027538 /nfs/dbraw/zinc/02/75/38/1064027538.db2.gz WTRQTCPXXZHTOK-UXHICEINSA-N 2 0 484.649 2.798 20 5 JFBDRP CC(C)C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1)[NH+](C)C ZINC001287322197 1062799812 /nfs/dbraw/zinc/79/98/12/1062799812.db2.gz NXXQPTSPNWGSHM-OFNKIYASSA-N 2 0 485.633 2.988 20 5 JFBDRP CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CC[NH+](C)C(C)(C)C2)C[C@@H]1C ZINC001295979637 1064027477 /nfs/dbraw/zinc/02/74/77/1064027477.db2.gz WTRQTCPXXZHTOK-PMACEKPBSA-N 2 0 484.649 2.798 20 5 JFBDRP CC(C)C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1)[NH+](C)C ZINC001287322192 1062799979 /nfs/dbraw/zinc/79/99/79/1062799979.db2.gz NXXQPTSPNWGSHM-NFBKMPQASA-N 2 0 485.633 2.988 20 5 JFBDRP CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC001296183498 1064328070 /nfs/dbraw/zinc/32/80/70/1064328070.db2.gz DOKMRKISJSDYLX-LEWJYISDSA-N 2 0 484.649 2.657 20 5 JFBDRP CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC001296183499 1064328240 /nfs/dbraw/zinc/32/82/40/1064328240.db2.gz DOKMRKISJSDYLX-NHCUHLMSSA-N 2 0 484.649 2.657 20 5 JFBDRP Cc1ccc(C[NH+]2CCC3(CCN(c4ncnc(N5CC[NH2+]CC5)c4[N+](=O)[O-])CC3)CC2)cc1 ZINC001164759433 721042768 /nfs/dbraw/zinc/04/27/68/721042768.db2.gz MFHOJXCIPFFJFX-UHFFFAOYSA-N 2 0 465.602 2.985 20 5 JFBDRP CC(C)[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001291290159 1063663143 /nfs/dbraw/zinc/66/31/43/1063663143.db2.gz VRFNLTLLNFZVJG-PMACEKPBSA-N 2 0 471.606 2.883 20 5 JFBDRP CC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001296144599 1064253977 /nfs/dbraw/zinc/25/39/77/1064253977.db2.gz BCVVFZTZCHQVBU-LJQANCHMSA-N 2 0 471.606 2.619 20 5 JFBDRP CC(C)(C)[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001287042735 1062013489 /nfs/dbraw/zinc/01/34/89/1062013489.db2.gz FJZWYNWRHZTSFK-OAQYLSRUSA-N 2 0 471.606 2.621 20 5 JFBDRP CC1CCC(NS(=O)(=O)c2ccc(N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)c([N+](=O)[O-])c2)CC1 ZINC001307185060 1063001294 /nfs/dbraw/zinc/00/12/94/1063001294.db2.gz HPRJUERXVFDAFQ-WBFXSEPVSA-N 2 0 481.663 2.627 20 5 JFBDRP CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC001296183501 1064328482 /nfs/dbraw/zinc/32/84/82/1064328482.db2.gz DOKMRKISJSDYLX-SFTDATJTSA-N 2 0 484.649 2.657 20 5 JFBDRP CC(C)(C)[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001287042734 1062013582 /nfs/dbraw/zinc/01/35/82/1062013582.db2.gz FJZWYNWRHZTSFK-NRFANRHFSA-N 2 0 471.606 2.621 20 5 JFBDRP CC[NH+](CC)[C@H](C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001295367420 1063332409 /nfs/dbraw/zinc/33/24/09/1063332409.db2.gz SYYVLGGFTZJSMT-LJQANCHMSA-N 2 0 471.606 2.885 20 5 JFBDRP CC[N@@H+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001296144598 1064253956 /nfs/dbraw/zinc/25/39/56/1064253956.db2.gz BCVVFZTZCHQVBU-IBGZPJMESA-N 2 0 471.606 2.619 20 5 JFBDRP CC(C)(C)[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001287042768 1062013304 /nfs/dbraw/zinc/01/33/04/1062013304.db2.gz GPLAZXZRCDQBLT-UHFFFAOYSA-N 2 0 471.606 2.886 20 5 JFBDRP CC(C)C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1)[NH+](C)C ZINC001287322194 1062799769 /nfs/dbraw/zinc/79/97/69/1062799769.db2.gz NXXQPTSPNWGSHM-NZQKXSOJSA-N 2 0 485.633 2.988 20 5 JFBDRP CC(C)C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1)[NH+](C)C ZINC001287322199 1062800354 /nfs/dbraw/zinc/80/03/54/1062800354.db2.gz NXXQPTSPNWGSHM-REWPJTCUSA-N 2 0 485.633 2.988 20 5 JFBDRP CC(C)[NH+]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001291290160 1063663191 /nfs/dbraw/zinc/66/31/91/1063663191.db2.gz VRFNLTLLNFZVJG-WOJBJXKFSA-N 2 0 471.606 2.883 20 5 JFBDRP