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]1CCC[C@@H]1O)N1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000086103061	608970375	/nfs/dbraw/zinc/97/03/75/608970375.db2.gz	ARJSPOYSAWWGBF-IKGGRYGDSA-N	2	1	338.496	0.767	10	30		ECEEMP
C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000153324017	609896025	/nfs/dbraw/zinc/89/60/25/609896025.db2.gz	YIDBQUONICTYHX-YOEHRIQHSA-N	2	1	346.479	0.853	10	30		ECEEMP
C=CCNC(=O)NC(=O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1	ZINC000105862003	436581009	/nfs/dbraw/zinc/58/10/09/436581009.db2.gz	MTSMWOIYZNVTKI-CYBMUJFWSA-N	2	1	326.441	0.023	10	30		ECEEMP
CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CCN(C[C@H]2CCOC2)CC1	ZINC000245685936	612713146	/nfs/dbraw/zinc/71/31/46/612713146.db2.gz	IKMOBVOCVUQNQK-SJORKVTESA-N	2	1	337.512	0.700	10	30		ECEEMP
C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1	ZINC000171588851	436981612	/nfs/dbraw/zinc/98/16/12/436981612.db2.gz	NZQVZFNWQPUBGR-KGLIPLIRSA-N	2	1	340.468	0.411	10	30		ECEEMP
C=CCNC(=O)NC(=O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1	ZINC000105862002	436582003	/nfs/dbraw/zinc/58/20/03/436582003.db2.gz	MTSMWOIYZNVTKI-ZDUSSCGKSA-N	2	1	326.441	0.023	10	30		ECEEMP
C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1	ZINC000171588848	436982460	/nfs/dbraw/zinc/98/24/60/436982460.db2.gz	NZQVZFNWQPUBGR-KBPBESRZSA-N	2	1	340.468	0.411	10	30		ECEEMP
C[NH+]=C(NCCN1CCOCC1(C)C)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C	ZINC000245688849	612714913	/nfs/dbraw/zinc/71/49/13/612714913.db2.gz	VPQPHBWKVCDZSF-JKSUJKDBSA-N	2	1	339.528	0.991	10	30		ECEEMP
O=C(CN1CC(=O)[O+]=N1)N1CCC[C@H]([N@H+]2CCc3ccccc3C2)C1	ZINC000020449850	212130326	/nfs/dbraw/zinc/13/03/26/212130326.db2.gz	SESVDLBAVQTMMX-INIZCTEOSA-O	2	1	343.407	0.717	10	30		ECEEMP
CC[NH+]=C(NC[C@@H]1CN(C)CCO1)N[C@H]1CC[N@H+](C2CCCC2)C1	ZINC000262811586	276095819	/nfs/dbraw/zinc/09/58/19/276095819.db2.gz	RGCZUQYMARXOCW-DOTOQJQBSA-N	2	1	337.512	0.889	10	30		ECEEMP
C[NH+]=C(NC[C@H](C)[N@@H+](C)C1CC1)N1CCO[C@@H](c2cnn(C)c2)C1	ZINC000153355880	609897215	/nfs/dbraw/zinc/89/72/15/609897215.db2.gz	CYFFSBVOTYZTCZ-XJKSGUPXSA-N	2	1	334.468	0.852	10	30		ECEEMP
C[NH+]=C(NCCN1CCOC(C)(C)C1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C	ZINC000245581854	612667610	/nfs/dbraw/zinc/66/76/10/612667610.db2.gz	CUDXLIYNQRXICJ-JKSUJKDBSA-N	2	1	339.528	0.991	10	30		ECEEMP
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1	ZINC000247189684	436790185	/nfs/dbraw/zinc/79/01/85/436790185.db2.gz	NZQVZFNWQPUBGR-ZIAGYGMSSA-N	2	1	340.468	0.411	10	30		ECEEMP
C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1	ZINC000247189660	436790721	/nfs/dbraw/zinc/79/07/21/436790721.db2.gz	NZQVZFNWQPUBGR-UONOGXRCSA-N	2	1	340.468	0.411	10	30		ECEEMP
C[NH+]=C(NCCN1CCOCC1(C)C)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C	ZINC000245688846	612714937	/nfs/dbraw/zinc/71/49/37/612714937.db2.gz	VPQPHBWKVCDZSF-HZPDHXFCSA-N	2	1	339.528	0.991	10	30		ECEEMP
C[NH+]=C(NC[C@H](C)[N@@H+](C)C1CC1)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000153355667	609926118	/nfs/dbraw/zinc/92/61/18/609926118.db2.gz	CYFFSBVOTYZTCZ-BBRMVZONSA-N	2	1	334.468	0.852	10	30		ECEEMP
O=C(CN1CC(=O)[O+]=N1)N1CCC[C@@H]([N@H+]2CCc3ccccc3C2)C1	ZINC000020449848	212129897	/nfs/dbraw/zinc/12/98/97/212129897.db2.gz	SESVDLBAVQTMMX-MRXNPFEDSA-O	2	1	343.407	0.717	10	30		ECEEMP
CC[NH+]=C(NC[C@@H]1CN(C)CCO1)N[C@@H]1CC[N@H+](C2CCCC2)C1	ZINC000262811591	276095897	/nfs/dbraw/zinc/09/58/97/276095897.db2.gz	RGCZUQYMARXOCW-NVXWUHKLSA-N	2	1	337.512	0.889	10	30		ECEEMP
C[NH+]=C(NCCN1CCOC(C)(C)C1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C	ZINC000245581848	612667514	/nfs/dbraw/zinc/66/75/14/612667514.db2.gz	CUDXLIYNQRXICJ-HZPDHXFCSA-N	2	1	339.528	0.991	10	30		ECEEMP
CC[NH+]=C(NC[C@@H]1CN(C)CCO1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C	ZINC000158306950	608824482	/nfs/dbraw/zinc/82/44/82/608824482.db2.gz	GILNFAFFWHFJFV-ARFHVFGLSA-N	2	1	325.501	0.601	10	30		ECEEMP