smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCN(CC(=O)N[C@H](C=O)CCCNC(N)=[NH2+])C(=O)[C@H]1CCCC[NH2+]1 ZINC000003823933 206991524 /nfs/dbraw/zinc/99/15/24/206991524.db2.gz KOKYFHPHCVVGMH-UONOGXRCSA-N 2 0 368.482 -0.686 1 30 FBEFRP N=C(NN=Cc1cccc(C(N)=[NH2+])n1)NN=Cc1cccc(C(N)=[NH2+])n1 ZINC000013861139 220097930 /nfs/dbraw/zinc/09/79/30/220097930.db2.gz KWNCZAHKNLRNOR-KVJLFNRQSA-N 2 0 351.378 -0.473 1 30 FBEFRP N#Cc1ccc(Nc2nc(N3CC[NH2+]CC3)nc(N3CC[NH2+]CC3)n2)cn1 ZINC000084688032 132198940 /nfs/dbraw/zinc/19/89/40/132198940.db2.gz NMQNMSKHRJRKNG-UHFFFAOYSA-N 2 0 366.433 -0.299 1 30 FBEFRP