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]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1ccccc1O ZINC000902483236 584623866 /nfs/dbraw/zinc/62/38/66/584623866.db2.gz PSHDGUXDIHRSCM-OLZOCXBDSA-N 2 1 248.370 2.575 20 10 BFCDMP C[C@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1ccccc1O ZINC000902483237 584624322 /nfs/dbraw/zinc/62/43/22/584624322.db2.gz PSHDGUXDIHRSCM-QWHCGFSZSA-N 2 1 248.370 2.575 20 10 BFCDMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000817979822 586862102 /nfs/dbraw/zinc/86/21/02/586862102.db2.gz PACJWSIKIRYCNT-JSGCOSHPSA-N 2 1 249.402 2.531 20 10 BFCDMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1O ZINC000157611025 640695644 /nfs/dbraw/zinc/69/56/44/640695644.db2.gz FOZBGNCVAOUENY-AGIUHOORSA-N 2 1 248.370 2.526 20 10 BFCDMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1O ZINC000157611025 640695650 /nfs/dbraw/zinc/69/56/50/640695650.db2.gz FOZBGNCVAOUENY-AGIUHOORSA-N 2 1 248.370 2.526 20 10 BFCDMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1ccccc1O ZINC000863543706 589296984 /nfs/dbraw/zinc/29/69/84/589296984.db2.gz WFJOJEUFNQTNGG-MELADBBJSA-N 2 1 248.370 2.573 20 10 BFCDMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1O ZINC000877755559 590416644 /nfs/dbraw/zinc/41/66/44/590416644.db2.gz FOZBGNCVAOUENY-JHJVBQTASA-N 2 1 248.370 2.526 20 10 BFCDMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1O ZINC000226863719 640802239 /nfs/dbraw/zinc/80/22/39/640802239.db2.gz FOZBGNCVAOUENY-XQQFMLRXSA-N 2 1 248.370 2.526 20 10 BFCDMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1O ZINC000226863719 640802243 /nfs/dbraw/zinc/80/22/43/640802243.db2.gz FOZBGNCVAOUENY-XQQFMLRXSA-N 2 1 248.370 2.526 20 10 BFCDMP CC[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccccc1O ZINC000817984732 586862634 /nfs/dbraw/zinc/86/26/34/586862634.db2.gz YGMGWMQKAGJUJF-JSGCOSHPSA-N 2 1 248.370 2.575 20 10 BFCDMP CC[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccccc1O ZINC000817984731 586862890 /nfs/dbraw/zinc/86/28/90/586862890.db2.gz YGMGWMQKAGJUJF-GXTWGEPZSA-N 2 1 248.370 2.575 20 10 BFCDMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1O ZINC000226863710 640802621 /nfs/dbraw/zinc/80/26/21/640802621.db2.gz FOZBGNCVAOUENY-YNEHKIRRSA-N 2 1 248.370 2.526 20 10 BFCDMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1O ZINC000226863710 640802624 /nfs/dbraw/zinc/80/26/24/640802624.db2.gz FOZBGNCVAOUENY-YNEHKIRRSA-N 2 1 248.370 2.526 20 10 BFCDMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccccc1O ZINC000817982990 644994583 /nfs/dbraw/zinc/99/45/83/644994583.db2.gz XHQPYVMHGUHKNY-RISCZKNCSA-N 2 1 248.370 2.560 20 10 BFCDMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1O ZINC000817963236 586852745 /nfs/dbraw/zinc/85/27/45/586852745.db2.gz PYCVBDJZGPRLGD-RYUDHWBXSA-N 2 1 236.359 2.560 20 10 BFCDMP CC[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccccc1O ZINC000817984733 586862548 /nfs/dbraw/zinc/86/25/48/586862548.db2.gz YGMGWMQKAGJUJF-OCCSQVGLSA-N 2 1 248.370 2.575 20 10 BFCDMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000817979823 584994377 /nfs/dbraw/zinc/99/43/77/584994377.db2.gz PACJWSIKIRYCNT-OCCSQVGLSA-N 2 1 249.402 2.531 20 10 BFCDMP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1ccccc1O ZINC000863543705 589297407 /nfs/dbraw/zinc/29/74/07/589297407.db2.gz WFJOJEUFNQTNGG-HZSPNIEDSA-N 2 1 248.370 2.573 20 10 BFCDMP CC[NH+]1CCC([NH2+][C@H](C)c2ccccc2O)CC1 ZINC000038097911 343370884 /nfs/dbraw/zinc/37/08/84/343370884.db2.gz ZDLAIEDJZLRYIB-GFCCVEGCSA-N 2 1 248.370 2.527 20 10 BFCDMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1O ZINC000037267102 383969058 /nfs/dbraw/zinc/96/90/58/383969058.db2.gz XRBVOGBLORCCBH-CQSZACIVSA-N 2 1 248.370 2.527 20 10 BFCDMP C[N@H+](CCCCCCC[NH3+])c1ccc(N)cc1 ZINC000863558757 589298728 /nfs/dbraw/zinc/29/87/28/589298728.db2.gz WAJMKEKKGRUYRP-UHFFFAOYSA-N 2 1 235.375 2.614 20 10 BFCDMP C[N@@H+](CCCCCCC[NH3+])c1ccc(N)cc1 ZINC000863558757 589298729 /nfs/dbraw/zinc/29/87/29/589298729.db2.gz WAJMKEKKGRUYRP-UHFFFAOYSA-N 2 1 235.375 2.614 20 10 BFCDMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000038097910 343370993 /nfs/dbraw/zinc/37/09/93/343370993.db2.gz ZDLAIEDJZLRYIB-LBPRGKRZSA-N 2 1 248.370 2.527 20 10 BFCDMP C[C@@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1ccccc1O ZINC000902483235 584624056 /nfs/dbraw/zinc/62/40/56/584624056.db2.gz PSHDGUXDIHRSCM-CHWSQXEVSA-N 2 1 248.370 2.575 20 10 BFCDMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000817979824 584994435 /nfs/dbraw/zinc/99/44/35/584994435.db2.gz PACJWSIKIRYCNT-TZMCWYRMSA-N 2 1 249.402 2.531 20 10 BFCDMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1O ZINC000157611164 640696305 /nfs/dbraw/zinc/69/63/05/640696305.db2.gz FOZBGNCVAOUENY-AVGNSLFASA-N 2 1 248.370 2.526 20 10 BFCDMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1O ZINC000157611164 640696310 /nfs/dbraw/zinc/69/63/10/640696310.db2.gz FOZBGNCVAOUENY-AVGNSLFASA-N 2 1 248.370 2.526 20 10 BFCDMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccccc1O ZINC000817982989 644994675 /nfs/dbraw/zinc/99/46/75/644994675.db2.gz XHQPYVMHGUHKNY-FZMZJTMJSA-N 2 1 248.370 2.560 20 10 BFCDMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1O ZINC000037267101 343342325 /nfs/dbraw/zinc/34/23/25/343342325.db2.gz XRBVOGBLORCCBH-AWEZNQCLSA-N 2 1 248.370 2.527 20 10 BFCDMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1O ZINC000877755560 590417300 /nfs/dbraw/zinc/41/73/00/590417300.db2.gz FOZBGNCVAOUENY-UPJWGTAASA-N 2 1 248.370 2.526 20 10 BFCDMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccccc1O ZINC000817982991 644995753 /nfs/dbraw/zinc/99/57/53/644995753.db2.gz XHQPYVMHGUHKNY-SMDDNHRTSA-N 2 1 248.370 2.560 20 10 BFCDMP CC[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccccc1O ZINC000817984734 586862743 /nfs/dbraw/zinc/86/27/43/586862743.db2.gz YGMGWMQKAGJUJF-TZMCWYRMSA-N 2 1 248.370 2.575 20 10 BFCDMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1O ZINC000157610891 641619964 /nfs/dbraw/zinc/61/99/64/641619964.db2.gz FOZBGNCVAOUENY-RWMBFGLXSA-N 2 1 248.370 2.526 20 10 BFCDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1O ZINC000157610891 641619967 /nfs/dbraw/zinc/61/99/67/641619967.db2.gz FOZBGNCVAOUENY-RWMBFGLXSA-N 2 1 248.370 2.526 20 10 BFCDMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccccc1O ZINC000817982988 644995627 /nfs/dbraw/zinc/99/56/27/644995627.db2.gz XHQPYVMHGUHKNY-BXUZGUMPSA-N 2 1 248.370 2.560 20 10 BFCDMP C[C@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1ccccc1O ZINC000902483238 584624218 /nfs/dbraw/zinc/62/42/18/584624218.db2.gz PSHDGUXDIHRSCM-STQMWFEESA-N 2 1 248.370 2.575 20 10 BFCDMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccccc1O ZINC000817963237 586853239 /nfs/dbraw/zinc/85/32/39/586853239.db2.gz PYCVBDJZGPRLGD-VXGBXAGGSA-N 2 1 236.359 2.560 20 10 BFCDMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccccc1O ZINC000817963234 586853448 /nfs/dbraw/zinc/85/34/48/586853448.db2.gz PYCVBDJZGPRLGD-NEPJUHHUSA-N 2 1 236.359 2.560 20 10 BFCDMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000817979821 644993241 /nfs/dbraw/zinc/99/32/41/644993241.db2.gz PACJWSIKIRYCNT-GXTWGEPZSA-N 2 1 249.402 2.531 20 10 BFCDMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1O ZINC000817963235 586853065 /nfs/dbraw/zinc/85/30/65/586853065.db2.gz PYCVBDJZGPRLGD-NWDGAFQWSA-N 2 1 236.359 2.560 20 10 BFCDMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1O ZINC000157610727 640696385 /nfs/dbraw/zinc/69/63/85/640696385.db2.gz FOZBGNCVAOUENY-FRRDWIJNSA-N 2 1 248.370 2.526 20 10 BFCDMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1O ZINC000157610727 640696387 /nfs/dbraw/zinc/69/63/87/640696387.db2.gz FOZBGNCVAOUENY-FRRDWIJNSA-N 2 1 248.370 2.526 20 10 BFCDMP