smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@@H+]1CCc2c(sc3ncn(CC[NH+]4CCN(c5ccccc5C#N)CC4)c(=O)c32)C1	ZINC000028529982	563057457	/nfs/dbraw/zinc/05/74/57/563057457.db2.gz	FREWUHPTJYJHEV-UHFFFAOYSA-N	2	2	434.569	2.140	1	30		IEEFLP
C[N@H+]1CCc2c(sc3ncn(CC[NH+]4CCN(c5ccccc5C#N)CC4)c(=O)c32)C1	ZINC000028529982	563057458	/nfs/dbraw/zinc/05/74/58/563057458.db2.gz	FREWUHPTJYJHEV-UHFFFAOYSA-N	2	2	434.569	2.140	1	30		IEEFLP
CSc1ncccc1C(=O)N1CC[C@@H]([NH2+]Cc2c[nH+]cn2Cc2ccc(C#N)cc2)C1=O	ZINC000040979180	563115476	/nfs/dbraw/zinc/11/54/76/563115476.db2.gz	HPUWDQDUZQWGIJ-HXUWFJFHSA-N	2	2	446.536	2.451	1	30		IEEFLP
C[NH+]1CCN(c2nc3ccc(/[NH+]=C/N4CCCCC4)cc3nc2N2CC[NH+](C)CC2)CC1	ZINC000053257446	563141635	/nfs/dbraw/zinc/14/16/35/563141635.db2.gz	HIYAVBQTNLXRPJ-NCELDCMTSA-N	3	2	436.608	2.279	1	30		IEEFLP
CN(C)/C=[NH+]/c1cc(Cl)cc2nc(N3CC[NH+](C)CC3)c(N3CC[NH+](C)CC3)nc21	ZINC000026170349	563029368	/nfs/dbraw/zinc/02/93/68/563029368.db2.gz	YOCQTTMXSFKYLW-HZHRSRAPSA-N	2	2	430.988	2.008	1	30		IEEFLP
COc1ccc(/C=N/OC[C@H](O)C[NH2+]CCC[NH+]2CCOCC2)cc1OC1CCCC1	ZINC000045256766	563127402	/nfs/dbraw/zinc/12/74/02/563127402.db2.gz	XJYWLUIIBTWCNR-UVPCLOGWSA-N	2	2	435.565	2.040	1	30		IEEFLP
COC(=O)[C@H](CSC)NC(=O)c1cc(C[NH2+]C[C@@H]([NH3+])CS)ccc1-c1ccccc1	ZINC000026817870	563036887	/nfs/dbraw/zinc/03/68/87/563036887.db2.gz	DWTFHVQGFAMPIJ-XLIONFOSSA-N	2	2	447.626	2.335	1	30		IEEFLP
COc1ccc(/C=N/OC[C@@H](O)C[NH2+]CCC[NH+]2CCOCC2)cc1OC1CCCC1	ZINC000045256772	563127439	/nfs/dbraw/zinc/12/74/39/563127439.db2.gz	XJYWLUIIBTWCNR-KXWHUPIZSA-N	2	2	435.565	2.040	1	30		IEEFLP
N#Cc1ccc(Cn2c[nH+]cc2C[NH2+][C@H]2CCN(C(=O)c3ccc[nH]c3=S)C2=O)cc1	ZINC000040940223	563113441	/nfs/dbraw/zinc/11/34/41/563113441.db2.gz	JWLQSWJBHJDZPV-IBGZPJMESA-N	2	2	432.509	2.018	1	30		IEEFLP
CSc1ncccc1C(=O)N1CC[C@H]([NH2+]Cc2c[nH+]cn2Cc2ccc(C#N)cc2)C1=O	ZINC000040979178	563115508	/nfs/dbraw/zinc/11/55/08/563115508.db2.gz	HPUWDQDUZQWGIJ-FQEVSTJZSA-N	2	2	446.536	2.451	1	30		IEEFLP
N#Cc1ccc(Cn2c[nH+]cc2C[NH2+][C@@H]2CCN(C(=O)c3ccc[nH]c3=S)C2=O)cc1	ZINC000040940225	563113447	/nfs/dbraw/zinc/11/34/47/563113447.db2.gz	JWLQSWJBHJDZPV-LJQANCHMSA-N	2	2	432.509	2.018	1	30		IEEFLP