smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C1=CC=C2NCCC/[NH+]=C3\C=CC=CC=C3NCCC/[NH+]=C/2C=C1 ZINC000104162463 193987833 /nfs/dbraw/zinc/98/78/33/193987833.db2.gz OEHCVRNWMIVHJX-DPIBHUQISA-N 2 0 320.440 2.861 1 10 DFCFRP C1=CC=C2NCCC/[NH+]=C3/C=CC=CC=C3NCCC/[NH+]=C\2C=C1 ZINC000073386836 191310712 /nfs/dbraw/zinc/31/07/12/191310712.db2.gz OEHCVRNWMIVHJX-RSFSRFMPSA-N 2 0 320.440 2.861 1 10 DFCFRP CNC(=[NH2+])N(C)CCNc1c2ccccc2[nH+]c2ccccc21 ZINC000040423919 183064997 /nfs/dbraw/zinc/06/49/97/183064997.db2.gz KNXGLIOGOWSPBN-UHFFFAOYSA-N 2 0 307.401 2.886 1 10 DFCFRP c1ccc2c(c1)[nH+]c1ccccc1c2NCCN1CC[NH2+]CC1 ZINC000022864270 182338527 /nfs/dbraw/zinc/33/85/27/182338527.db2.gz CUOLMMWRTNSMRJ-UHFFFAOYSA-N 2 0 306.413 2.705 1 10 DFCFRP