smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+]=C(NC[C@@H]1CCCN1C)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000179090550	608931680	/nfs/dbraw/zinc/93/16/80/608931680.db2.gz	IKMOBVOCVUQNQK-IRXDYDNUSA-N	1	3	337.512	0.700	10	30		ECEEHO
CC[NH+]=C(NC[C@@H]1CCCN1C)N1CCN(C[C@H]2CCOC2)CC1	ZINC000245685936	612713158	/nfs/dbraw/zinc/71/31/58/612713158.db2.gz	IKMOBVOCVUQNQK-SJORKVTESA-N	1	3	337.512	0.700	10	30		ECEEHO
C=CCNC(=O)NC(=O)[C@H](C)N(C)CC1CC[NH+](C[C@@H](C)O)CC1	ZINC000171588851	436981614	/nfs/dbraw/zinc/98/16/14/436981614.db2.gz	NZQVZFNWQPUBGR-KGLIPLIRSA-N	1	3	340.468	0.411	10	30		ECEEHO
C=CCNC(=O)NC(=O)[C@H](C)N(C)CC1CC[NH+](C[C@H](C)O)CC1	ZINC000171588848	436982463	/nfs/dbraw/zinc/98/24/63/436982463.db2.gz	NZQVZFNWQPUBGR-KBPBESRZSA-N	1	3	340.468	0.411	10	30		ECEEHO
C[NH+]=C(NCCN1CCOCC1(C)C)N[C@@H]1CN(C(C)C)C[C@@H]1C	ZINC000245688849	612714914	/nfs/dbraw/zinc/71/49/14/612714914.db2.gz	VPQPHBWKVCDZSF-JKSUJKDBSA-N	1	3	339.528	0.991	10	30		ECEEHO
O=C(CN1CC(=O)[O+]=N1)N1CCC[C@H](N2CCc3ccccc3C2)C1	ZINC000020449850	212130329	/nfs/dbraw/zinc/13/03/29/212130329.db2.gz	SESVDLBAVQTMMX-INIZCTEOSA-O	1	3	343.407	0.717	10	30		ECEEHO
CC[NH+]=C(NC[C@@H]1CN(C)CCO1)N[C@H]1CCN(C2CCCC2)C1	ZINC000262811586	276095827	/nfs/dbraw/zinc/09/58/27/276095827.db2.gz	RGCZUQYMARXOCW-DOTOQJQBSA-N	1	3	337.512	0.889	10	30		ECEEHO
C[NH+]=C(NCCN1CCOC(C)(C)C1)N[C@@H]1CN(C(C)C)C[C@@H]1C	ZINC000245581854	612667611	/nfs/dbraw/zinc/66/76/11/612667611.db2.gz	CUDXLIYNQRXICJ-JKSUJKDBSA-N	1	3	339.528	0.991	10	30		ECEEHO
C=CCNC(=O)NC(=O)[C@@H](C)N(C)CC1CC[NH+](C[C@@H](C)O)CC1	ZINC000247189684	436790188	/nfs/dbraw/zinc/79/01/88/436790188.db2.gz	NZQVZFNWQPUBGR-ZIAGYGMSSA-N	1	3	340.468	0.411	10	30		ECEEHO
C=CCNC(=O)NC(=O)[C@@H](C)N(C)CC1CC[NH+](C[C@H](C)O)CC1	ZINC000247189660	436790723	/nfs/dbraw/zinc/79/07/23/436790723.db2.gz	NZQVZFNWQPUBGR-UONOGXRCSA-N	1	3	340.468	0.411	10	30		ECEEHO
C[NH+]=C(NCCN1CCOCC1(C)C)N[C@@H]1CN(C(C)C)C[C@H]1C	ZINC000245688846	612714939	/nfs/dbraw/zinc/71/49/39/612714939.db2.gz	VPQPHBWKVCDZSF-HZPDHXFCSA-N	1	3	339.528	0.991	10	30		ECEEHO
O=C(CN1CC(=O)[O+]=N1)N1CCC[C@@H](N2CCc3ccccc3C2)C1	ZINC000020449848	212129898	/nfs/dbraw/zinc/12/98/98/212129898.db2.gz	SESVDLBAVQTMMX-MRXNPFEDSA-O	1	3	343.407	0.717	10	30		ECEEHO
CC[NH+]=C(NC[C@@H]1CN(C)CCO1)N[C@@H]1CCN(C2CCCC2)C1	ZINC000262811591	276095903	/nfs/dbraw/zinc/09/59/03/276095903.db2.gz	RGCZUQYMARXOCW-NVXWUHKLSA-N	1	3	337.512	0.889	10	30		ECEEHO
C[NH+]=C(NCCN1CCOC(C)(C)C1)N[C@@H]1CN(C(C)C)C[C@H]1C	ZINC000245581848	612667515	/nfs/dbraw/zinc/66/75/15/612667515.db2.gz	CUDXLIYNQRXICJ-HZPDHXFCSA-N	1	3	339.528	0.991	10	30		ECEEHO
CC[NH+]=C(NC[C@@H]1CN(C)CCO1)N[C@@H]1CN(C(C)C)C[C@@H]1C	ZINC000158306950	608824495	/nfs/dbraw/zinc/82/44/95/608824495.db2.gz	GILNFAFFWHFJFV-ARFHVFGLSA-N	1	3	325.501	0.601	10	30		ECEEHO