smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1N1CCC([NH2+][C@@H]2CCOC[C@H]2OCC[NH+](C)C)CC1 ZINC000218217110 525222288 /nfs/dbraw/zinc/22/22/88/525222288.db2.gz LYBCIXNJONRUPV-TZIWHRDSSA-N 2 0 361.530 2.289 50 70 FEIARP Nc1nc(C2CC([NH3+])C2)cc(N2CCC[N@H+](Cc3cccc(F)c3)CC2)n1 ZINC000217995355 527547435 /nfs/dbraw/zinc/54/74/35/527547435.db2.gz QWANDZAZCLIUOT-UHFFFAOYSA-N 2 0 370.476 2.115 50 70 FEIARP C[NH+](C)[C@H]1[C@@H]2CC[C@H]1CN(C(=O)C1(c3ccccc3)CC[NH+](C)CC1)C2 ZINC000217951052 548683457 /nfs/dbraw/zinc/68/34/57/548683457.db2.gz WJABHONDQVKBDN-RUYXUALKSA-N 2 0 355.526 2.449 50 70 FEIARP Cc1nc([C@H]2C[C@H]([NH3+])C2)cc(N2CCC[N@H+](Cc3ccncc3)CC2)n1 ZINC000218574293 548687739 /nfs/dbraw/zinc/68/77/39/548687739.db2.gz DZZABCWIBZABKD-HDICACEKSA-N 2 0 352.486 2.097 50 70 FEIARP