smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CC[NH+]1CCC(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)CC1	ZINC000176867201	437159583	/nfs/dbraw/zinc/15/95/83/437159583.db2.gz	FICLWXBZPREVIV-INIZCTEOSA-N	2	0	335.492	0.883	10	30		ECEERP
C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N[C@H]1CCCn2nc(C)nc21	ZINC000133000555	590672339	/nfs/dbraw/zinc/67/23/39/590672339.db2.gz	QRFWIWUUVRMYEY-AWEZNQCLSA-N	2	0	349.483	0.697	10	30		ECEERP
CC[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCN(C[C@@H]2CCOC2)CC1	ZINC000179090550	608931666	/nfs/dbraw/zinc/93/16/66/608931666.db2.gz	IKMOBVOCVUQNQK-IRXDYDNUSA-N	3	0	337.512	0.700	10	30		ECEERP
C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000153324017	609896020	/nfs/dbraw/zinc/89/60/20/609896020.db2.gz	YIDBQUONICTYHX-YOEHRIQHSA-N	2	0	346.479	0.853	10	30		ECEERP
C=CCNC(=O)NC(=O)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1	ZINC000105862003	436581004	/nfs/dbraw/zinc/58/10/04/436581004.db2.gz	MTSMWOIYZNVTKI-CYBMUJFWSA-N	2	0	326.441	0.023	10	30		ECEERP
CCCCCCCCS(=O)(=O)NCC[NH2+]CCCNCC[NH3+]	ZINC000043543966	213586679	/nfs/dbraw/zinc/58/66/79/213586679.db2.gz	PCRIHRTWUOZXJX-UHFFFAOYSA-N	2	0	336.546	0.794	10	30		ECEERP
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1	ZINC000171588851	436981603	/nfs/dbraw/zinc/98/16/03/436981603.db2.gz	NZQVZFNWQPUBGR-KGLIPLIRSA-N	2	0	340.468	0.411	10	30		ECEERP
C=CCNC(=O)NC(=O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1	ZINC000105862002	436582001	/nfs/dbraw/zinc/58/20/01/436582001.db2.gz	MTSMWOIYZNVTKI-ZDUSSCGKSA-N	2	0	326.441	0.023	10	30		ECEERP
C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1	ZINC000171588848	436982459	/nfs/dbraw/zinc/98/24/59/436982459.db2.gz	NZQVZFNWQPUBGR-KBPBESRZSA-N	2	0	340.468	0.411	10	30		ECEERP
C[NH+]=C(NCCN1CCOCC1(C)C)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000245688849	612714909	/nfs/dbraw/zinc/71/49/09/612714909.db2.gz	VPQPHBWKVCDZSF-JKSUJKDBSA-N	2	0	339.528	0.991	10	30		ECEERP
O=C(CN1CC(=O)[O+]=N1)N1CCC[C@H]([N@@H+]2CCc3ccccc3C2)C1	ZINC000020449850	212130324	/nfs/dbraw/zinc/13/03/24/212130324.db2.gz	SESVDLBAVQTMMX-INIZCTEOSA-O	2	0	343.407	0.717	10	30		ECEERP
CC[NH+]=C(NC[C@@H]1CN(C)CCO1)N[C@H]1CC[N@@H+](C2CCCC2)C1	ZINC000262811586	276095816	/nfs/dbraw/zinc/09/58/16/276095816.db2.gz	RGCZUQYMARXOCW-DOTOQJQBSA-N	2	0	337.512	0.889	10	30		ECEERP
C[NH+]=C(NC[C@H](C)[N@H+](C)C1CC1)N1CCO[C@@H](c2cnn(C)c2)C1	ZINC000153355880	609897208	/nfs/dbraw/zinc/89/72/08/609897208.db2.gz	CYFFSBVOTYZTCZ-XJKSGUPXSA-N	2	0	334.468	0.852	10	30		ECEERP
C[NH+]=C(NCCN1CCOC(C)(C)C1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000245581854	612667609	/nfs/dbraw/zinc/66/76/09/612667609.db2.gz	CUDXLIYNQRXICJ-JKSUJKDBSA-N	2	0	339.528	0.991	10	30		ECEERP
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1	ZINC000247189684	436790181	/nfs/dbraw/zinc/79/01/81/436790181.db2.gz	NZQVZFNWQPUBGR-ZIAGYGMSSA-N	2	0	340.468	0.411	10	30		ECEERP
C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N[C@@H]1CCCn2nc(C)nc21	ZINC000133000759	590672735	/nfs/dbraw/zinc/67/27/35/590672735.db2.gz	QRFWIWUUVRMYEY-CQSZACIVSA-N	2	0	349.483	0.697	10	30		ECEERP
C#CC[NH+]1CCC(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)CC1	ZINC000176867218	437160196	/nfs/dbraw/zinc/16/01/96/437160196.db2.gz	FICLWXBZPREVIV-MRXNPFEDSA-N	2	0	335.492	0.883	10	30		ECEERP
C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1	ZINC000247189660	436790719	/nfs/dbraw/zinc/79/07/19/436790719.db2.gz	NZQVZFNWQPUBGR-UONOGXRCSA-N	2	0	340.468	0.411	10	30		ECEERP
C[NH+]=C(NCCN1CCOCC1(C)C)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000245688846	612714936	/nfs/dbraw/zinc/71/49/36/612714936.db2.gz	VPQPHBWKVCDZSF-HZPDHXFCSA-N	2	0	339.528	0.991	10	30		ECEERP
C[NH+]=C(NC[C@H](C)[N@H+](C)C1CC1)N1CCO[C@H](c2cnn(C)c2)C1	ZINC000153355667	609926115	/nfs/dbraw/zinc/92/61/15/609926115.db2.gz	CYFFSBVOTYZTCZ-BBRMVZONSA-N	2	0	334.468	0.852	10	30		ECEERP
O=C(CN1CC(=O)[O+]=N1)N1CCC[C@@H]([N@@H+]2CCc3ccccc3C2)C1	ZINC000020449848	212129895	/nfs/dbraw/zinc/12/98/95/212129895.db2.gz	SESVDLBAVQTMMX-MRXNPFEDSA-O	2	0	343.407	0.717	10	30		ECEERP
CC[NH+]=C(NC[C@@H]1CN(C)CCO1)N[C@@H]1CC[N@@H+](C2CCCC2)C1	ZINC000262811591	276095895	/nfs/dbraw/zinc/09/58/95/276095895.db2.gz	RGCZUQYMARXOCW-NVXWUHKLSA-N	2	0	337.512	0.889	10	30		ECEERP
C[NH+]=C(NCCN1CCOC(C)(C)C1)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000245581848	612667509	/nfs/dbraw/zinc/66/75/09/612667509.db2.gz	CUDXLIYNQRXICJ-HZPDHXFCSA-N	2	0	339.528	0.991	10	30		ECEERP
CC[NH+]=C(NC[C@@H]1CN(C)CCO1)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000158306950	608824477	/nfs/dbraw/zinc/82/44/77/608824477.db2.gz	GILNFAFFWHFJFV-ARFHVFGLSA-N	2	0	325.501	0.601	10	30		ECEERP