smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NCC[C@H](NC(N)=[NH2+])C(=O)N1CCCCC1 ZINC000013561255 181408235 /nfs/dbraw/zinc/40/82/35/181408235.db2.gz GZARBUXJNLDHFQ-QMMMGPOBSA-N 1 3 227.312 -1.010 10 30 BAEEHO N=C(N)c1ccnc(C=NNC(N)=[NH2+])n1 ZINC000013861137 181187804 /nfs/dbraw/zinc/18/78/04/181187804.db2.gz GKRVPBRMENPBRU-QLKAYGNNSA-N 1 3 206.213 -1.422 10 30 BAEEHO CC(/C=N/N(C)C(=N)N)=N\N(C)C(N)=[NH2+] ZINC000017002982 187251869 /nfs/dbraw/zinc/25/18/69/187251869.db2.gz PWOLUTGOFCVQCK-QGVJZHQLSA-N 1 3 212.261 -1.001 10 30 BAEEHO N=C(N)NN=Cc1cccc(C(N)=[NH2+])n1 ZINC000034218427 181195993 /nfs/dbraw/zinc/19/59/93/181195993.db2.gz SIUOZCCDCANIQD-YIXHJXPBSA-N 1 3 205.225 -1.027 10 30 BAEEHO CN1CCC(O)(CNC(N)=[NH+]N)CC1 ZINC000306572556 360461178 /nfs/dbraw/zinc/46/11/78/360461178.db2.gz GXEVSYCBGWKYRJ-UHFFFAOYSA-N 1 3 201.274 -1.779 10 30 BAEEHO NCC#CC(=O)Nc1ccnn1C1C[NH2+]C1 ZINC000725260013 582804105 /nfs/dbraw/zinc/80/41/05/582804105.db2.gz MEHRQAZZHOLPCG-UHFFFAOYSA-N 1 3 219.248 -1.072 10 30 BAEEHO