smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCN(CC=C)C(=O)C1CC[NH+](C2CC[NH+](Cc3cccc(C)n3)CC2)CC1	ZINC000055254929	518761076	/nfs/dbraw/zinc/76/10/76/518761076.db2.gz	WRVWYIRWDCCCRM-UHFFFAOYSA-N	2	2	396.579	3.267	50	30		GGEALP
C[NH+](C)CCCn1cc[nH+]c1[C@H]1CCCN(C(=O)Nc2cccc(C#N)c2)C1	ZINC000095497413	208197749	/nfs/dbraw/zinc/19/77/49/208197749.db2.gz	QQBBRZSZPRWPBC-SFHVURJKSA-N	2	2	380.496	3.118	50	30		GGEALP
N#Cc1ccc(N2CCC([NH2+]CC[N@@H+]3CC[C@H](c4ccccc4)C3)CC2)nc1	ZINC000095525150	136181444	/nfs/dbraw/zinc/18/14/44/136181444.db2.gz	DEYGTXHHUUQKBX-NRFANRHFSA-N	2	2	375.520	3.001	50	30		GGEALP
N#Cc1ccc(N2CCC([NH2+]CC[N@H+]3CC[C@H](c4ccccc4)C3)CC2)nc1	ZINC000095525150	136181445	/nfs/dbraw/zinc/18/14/45/136181445.db2.gz	DEYGTXHHUUQKBX-NRFANRHFSA-N	2	2	375.520	3.001	50	30		GGEALP
N#Cc1ccccc1C[NH+]1CCC(c2nnc(Cn3cc[nH+]c3)n2C2CC2)CC1	ZINC000096149546	211310261	/nfs/dbraw/zinc/31/02/61/211310261.db2.gz	UWCOQKUANSUSHH-UHFFFAOYSA-N	2	2	387.491	3.109	50	30		GGEALP
N#Cc1ccc(N2CCC([NH2+]CC[N@@H+]3CC[C@@H](c4ccccc4)C3)CC2)nc1	ZINC000095525149	136181439	/nfs/dbraw/zinc/18/14/39/136181439.db2.gz	DEYGTXHHUUQKBX-OAQYLSRUSA-N	2	2	375.520	3.001	50	30		GGEALP
N#Cc1ccc(N2CCC([NH2+]CC[N@H+]3CC[C@@H](c4ccccc4)C3)CC2)nc1	ZINC000095525149	136181440	/nfs/dbraw/zinc/18/14/40/136181440.db2.gz	DEYGTXHHUUQKBX-OAQYLSRUSA-N	2	2	375.520	3.001	50	30		GGEALP
Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1	ZINC000426383795	534687013	/nfs/dbraw/zinc/68/70/13/534687013.db2.gz	JPQZJWCRPFHFHL-FQEVSTJZSA-N	2	2	378.524	3.052	50	30		GGEALP
Cn1c(C[NH+]2CCCCC2)nnc1[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1	ZINC000426383795	534687018	/nfs/dbraw/zinc/68/70/18/534687018.db2.gz	JPQZJWCRPFHFHL-FQEVSTJZSA-N	2	2	378.524	3.052	50	30		GGEALP
C=CCN(CC=C)C(=O)c1cccc(OC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1	ZINC000011662078	570233684	/nfs/dbraw/zinc/23/36/84/570233684.db2.gz	KXPVAXQLOKPVMC-UHFFFAOYSA-N	2	2	397.563	3.438	50	30		GGEALP
Cn1c(C[NH+]2CCCCC2)nnc1C1CC[NH+](Cc2cccc(C#N)c2)CC1	ZINC000096130680	1410325353	/nfs/dbraw/zinc/32/53/53/1410325353.db2.gz	OFGHSWJIXZRLRR-UHFFFAOYSA-N	2	2	378.524	3.052	50	30		GGEALP
C=CCOc1ccc(C[NH+]2CCC(O)(Cn3cc[nH+]c3)CC2)c(OCC=C)c1	ZINC000055413470	519033993	/nfs/dbraw/zinc/03/39/93/519033993.db2.gz	WJBXVCZOEWBWAV-UHFFFAOYSA-N	2	2	383.492	3.040	50	30		GGEALP
CC[NH+](CC)CCN1c2ccccc2[N@@H+](CC(=O)c2ccc(C#N)cc2)C1=N	ZINC000253470639	1433867633	/nfs/dbraw/zinc/86/76/33/1433867633.db2.gz	SZTFJYRQDRJSTN-UHFFFAOYSA-N	2	2	375.476	3.019	50	30		GGEALP
CC[NH+](CC)CCN1c2ccccc2[N@H+](CC(=O)c2ccc(C#N)cc2)C1=N	ZINC000253470639	1433867634	/nfs/dbraw/zinc/86/76/34/1433867634.db2.gz	SZTFJYRQDRJSTN-UHFFFAOYSA-N	2	2	375.476	3.019	50	30		GGEALP
C=CCc1cccc(CNc2[nH+]c3ccccc3n2CC[NH+]2CCOCC2)c1O	ZINC000000814087	206248765	/nfs/dbraw/zinc/24/87/65/206248765.db2.gz	MPMCDQWHFDJOKI-UHFFFAOYSA-N	2	2	392.503	3.415	50	30		GGEALP
Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1	ZINC000426383804	534687799	/nfs/dbraw/zinc/68/77/99/534687799.db2.gz	JPQZJWCRPFHFHL-HXUWFJFHSA-N	2	2	378.524	3.052	50	30		GGEALP
Cn1c(C[NH+]2CCCCC2)nnc1[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1	ZINC000426383804	534687806	/nfs/dbraw/zinc/68/78/06/534687806.db2.gz	JPQZJWCRPFHFHL-HXUWFJFHSA-N	2	2	378.524	3.052	50	30		GGEALP
C[NH+](C)CCCn1cc[nH+]c1[C@@H]1CCCN(C(=O)Nc2cccc(C#N)c2)C1	ZINC000095497412	222332897	/nfs/dbraw/zinc/33/28/97/222332897.db2.gz	QQBBRZSZPRWPBC-GOSISDBHSA-N	2	2	380.496	3.118	50	30		GGEALP