smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)C12C[C@H](c3ccccc3)C(NCC1)[C@H](c1ccccc1)C2 ZINC000040576262 183104183 /nfs/dbraw/zinc/10/41/83/183104183.db2.gz FPNYLRPWPLDJPE-FDRBHKFBSA-N 1 3 320.480 4.010 1 0 DIAFHO CN(C)C12C[C@H](c3ccccc3)C([NH2+]CC1)[C@H](c1ccccc1)C2 ZINC000040576262 183104186 /nfs/dbraw/zinc/10/41/86/183104186.db2.gz FPNYLRPWPLDJPE-FDRBHKFBSA-N 1 3 320.480 4.010 1 0 DIAFHO C[NH+](C)C12C[C@H](c3ccccc3)C(NCC1)[C@@H](c1ccccc1)C2 ZINC000040576264 183104444 /nfs/dbraw/zinc/10/44/44/183104444.db2.gz FPNYLRPWPLDJPE-JTVPBKEVSA-N 1 3 320.480 4.010 1 0 DIAFHO CN(C)C12C[C@H](c3ccccc3)C([NH2+]CC1)[C@@H](c1ccccc1)C2 ZINC000040576264 183104446 /nfs/dbraw/zinc/10/44/46/183104446.db2.gz FPNYLRPWPLDJPE-JTVPBKEVSA-N 1 3 320.480 4.010 1 0 DIAFHO C[NH+](C)C12C[C@@H](c3ccccc3)C(NCC1)[C@H](c1ccccc1)C2 ZINC000040403240 183061304 /nfs/dbraw/zinc/06/13/04/183061304.db2.gz FPNYLRPWPLDJPE-PHZLKFDYSA-N 1 3 320.480 4.010 1 0 DIAFHO CN(C)C12C[C@@H](c3ccccc3)C([NH2+]CC1)[C@H](c1ccccc1)C2 ZINC000040403240 183061306 /nfs/dbraw/zinc/06/13/06/183061306.db2.gz FPNYLRPWPLDJPE-PHZLKFDYSA-N 1 3 320.480 4.010 1 0 DIAFHO