smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2CCC(=O)NC(C)C)c(C)n1-c1ccccc1	ZINC001304191985	1067242594	/nfs/dbraw/zinc/24/25/94/1067242594.db2.gz	IYFFXBMDRADRDJ-UHFFFAOYSA-N	1	2	493.656	3.036	20	10		JGCDLO
Cc1cccc(-c2nnc(N(C)CC[NH+]3CCOCC3)n2CCCSc2nccs2)n1	ZINC001304460006	1067539476	/nfs/dbraw/zinc/53/94/76/1067539476.db2.gz	NDAUZXJOYYOPHB-UHFFFAOYSA-N	1	2	459.645	3.056	20	10		JGCDLO
CC[C@H](C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1Cc1ccc(N(C)C)c(F)c1	ZINC001305518441	1068767692	/nfs/dbraw/zinc/76/76/92/1068767692.db2.gz	IHEGUYIQOSBMBS-PMACEKPBSA-N	1	2	485.652	3.178	20	10		JGCDLO
CC(C)(C)OC(=O)N1CC[NH+](Cc2ccc(CNC(=O)Cc3ccc(O)c(O)c3)cc2)CC1	ZINC001303491862	1068016734	/nfs/dbraw/zinc/01/67/34/1068016734.db2.gz	FQEVPAOTVWJWPA-UHFFFAOYSA-N	1	2	455.555	3.009	20	10		JGCDLO
CC(C)Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCCSc1nccs1	ZINC001302944985	1067518118	/nfs/dbraw/zinc/51/81/18/1067518118.db2.gz	DCWIXAUUXYRRBD-IBGZPJMESA-N	1	2	491.731	3.248	20	10		JGCDLO
COc1c(C)c[nH+]c(CNC(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)c1C	ZINC000747900349	1067537489	/nfs/dbraw/zinc/53/74/89/1067537489.db2.gz	YGEXYQOZFUHHIR-UHFFFAOYSA-N	1	2	486.506	3.052	20	10		JGCDLO
CC[C@H](C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1Cc1ccc(N(C)C)c(F)c1	ZINC001305518443	1068767563	/nfs/dbraw/zinc/76/75/63/1068767563.db2.gz	IHEGUYIQOSBMBS-VQTJNVASSA-N	1	2	485.652	3.178	20	10		JGCDLO
CC[C@@H](C)c1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1Cc1ccc(N(C)C)cc1C	ZINC001305542825	1068816154	/nfs/dbraw/zinc/81/61/54/1068816154.db2.gz	FPYFKXSDSIVUTH-GJZUVCINSA-N	1	2	497.732	3.446	20	10		JGCDLO
CC[C@@H](C)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1Cc1ccc(N(C)C)c(F)c1	ZINC001305518444	1068768272	/nfs/dbraw/zinc/76/82/72/1068768272.db2.gz	IHEGUYIQOSBMBS-WOJBJXKFSA-N	1	2	485.652	3.178	20	10		JGCDLO
CC(C)NC(=O)c1nnc(N(C)Cc2ccccc2O)n1Cc1cc[nH+]c(N2CCCCC2)c1	ZINC001303334655	1067863902	/nfs/dbraw/zinc/86/39/02/1067863902.db2.gz	YOHKYMCMNNRDAP-UHFFFAOYSA-N	1	2	463.586	3.192	20	10		JGCDLO
CC[C@@H](C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1Cc1ccc(N(C)C)cc1C	ZINC001305542823	1068815408	/nfs/dbraw/zinc/81/54/08/1068815408.db2.gz	FPYFKXSDSIVUTH-ATIYNZHBSA-N	1	2	497.732	3.446	20	10		JGCDLO
CC[C@H](C)c1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1Cc1ccc(N(C)C)cc1C	ZINC001305542826	1068816374	/nfs/dbraw/zinc/81/63/74/1068816374.db2.gz	FPYFKXSDSIVUTH-NVQXNPDNSA-N	1	2	497.732	3.446	20	10		JGCDLO
CC[C@H](C)c1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1Cc1ccc(N(C)C)cc1C	ZINC001305542824	1068815788	/nfs/dbraw/zinc/81/57/88/1068815788.db2.gz	FPYFKXSDSIVUTH-BKMJKUGQSA-N	1	2	497.732	3.446	20	10		JGCDLO
CN(CC[NH+]1CCOCC1)c1nnc(-c2ccccc2F)n1CCCSc1nccs1	ZINC001298736853	1064551289	/nfs/dbraw/zinc/55/12/89/1064551289.db2.gz	KVQASHBBQSIOSW-UHFFFAOYSA-N	1	2	462.620	3.492	20	10		JGCDLO
COc1ccc(N2CC[NH+](CCNC(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)CC2)cc1	ZINC000747720695	1067357579	/nfs/dbraw/zinc/35/75/79/1067357579.db2.gz	ANEFBWJUWPCOLA-UHFFFAOYSA-N	1	2	467.551	3.279	20	10		JGCDLO
CC(C)Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCCSc1nccs1	ZINC001302944989	1067517971	/nfs/dbraw/zinc/51/79/71/1067517971.db2.gz	DCWIXAUUXYRRBD-LJQANCHMSA-N	1	2	491.731	3.248	20	10		JGCDLO
CC(C)Cc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1Cc1ccc(N(C)C)[nH+]c1	ZINC001302846810	1067432219	/nfs/dbraw/zinc/43/22/19/1067432219.db2.gz	YBCXFLNAAWADFY-UHFFFAOYSA-N	1	2	463.630	3.459	20	10		JGCDLO
COc1ccc(N2CC[NH+](CCNC(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)CC2)cc1	ZINC000747720946	1067357416	/nfs/dbraw/zinc/35/74/16/1067357416.db2.gz	ZFFWUUIAVUEOOE-UHFFFAOYSA-N	1	2	467.551	3.279	20	10		JGCDLO
CC[C@@H](C)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1Cc1ccc(N(C)C)c(F)c1	ZINC001305518442	1068767746	/nfs/dbraw/zinc/76/77/46/1068767746.db2.gz	IHEGUYIQOSBMBS-UXHICEINSA-N	1	2	485.652	3.178	20	10		JGCDLO