smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc(C[N@H+](C[C@H]2[C@@H]3C[NH2+]C[C@H]23)C2CCCCC2)nc1 ZINC000217771807 262344243 /nfs/dbraw/zinc/34/42/43/262344243.db2.gz PJLHPQYVZNNCDI-PIIMJCKOSA-N 2 1 285.435 2.682 50 70 CFIAMP C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC000217209014 393757226 /nfs/dbraw/zinc/75/72/26/393757226.db2.gz XYGSBJPSKCKCGX-WDNDVIMCSA-N 2 1 284.325 2.603 50 70 CFIAMP CC[N@@H+](CCOc1ccccc1Cl)C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC000217554925 382786751 /nfs/dbraw/zinc/78/67/51/382786751.db2.gz SSNKTFUCOSVMIA-WDNDVIMCSA-N 2 1 294.826 2.506 50 70 CFIAMP CCC[N@H+](Cc1ccccc1F)C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC000217134871 393756912 /nfs/dbraw/zinc/75/69/12/393756912.db2.gz FAAWSZYCGJNCQX-FICVDOATSA-N 2 1 262.372 2.503 50 70 CFIAMP c1csc(C[N@H+](Cc2ccccc2)C[C@H]2[C@@H]3C[NH2+]C[C@H]23)n1 ZINC000217913510 382788427 /nfs/dbraw/zinc/78/84/27/382788427.db2.gz UGEKACSGFPDIAD-ZSHCYNCHSA-N 2 1 299.443 2.611 50 70 CFIAMP c1csc(C[N@@H+](Cc2ccccc2)C[C@H]2[C@@H]3C[NH2+]C[C@H]23)n1 ZINC000217913510 382788428 /nfs/dbraw/zinc/78/84/28/382788428.db2.gz UGEKACSGFPDIAD-ZSHCYNCHSA-N 2 1 299.443 2.611 50 70 CFIAMP CC(C)C[N@H+](Cc1ccsc1)C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC000217194464 393756761 /nfs/dbraw/zinc/75/67/61/393756761.db2.gz INPMRIHPFXPLMV-FICVDOATSA-N 2 1 264.438 2.672 50 70 CFIAMP C[NH+](C)C[C@@H]1[C@H]2C[N@H+](Cc3ccccc3C(F)(F)F)C[C@H]21 ZINC000217929880 382788437 /nfs/dbraw/zinc/78/84/37/382788437.db2.gz VELJQCBJUDVPHK-ZSOGYDGISA-N 2 1 298.352 2.945 50 70 CFIAMP CC[N@@H+](CCSc1ccccc1)C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC000217169292 393756608 /nfs/dbraw/zinc/75/66/08/393756608.db2.gz NMPMXBKFPZKAEX-ZSHCYNCHSA-N 2 1 276.449 2.566 50 70 CFIAMP C[NH+](C)C[C@@H]1[C@H]2C[N@H+](Cc3ccc(F)c(Cl)c3)C[C@H]21 ZINC000217957606 382788509 /nfs/dbraw/zinc/78/85/09/382788509.db2.gz PFHFFLHWHZJAAY-XYYAHUGASA-N 2 1 282.790 2.719 50 70 CFIAMP