smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](CCC(=O)NCc1c[nH]c(=O)[nH]c1=O)N1CC[NH+](C)CC1	ZINC000218777865	376612251	/nfs/dbraw/zinc/61/22/51/376612251.db2.gz	GISXHQDZKDBVGI-LLVKDONJSA-N	1	2	323.397	-0.905	50	70		DBIALO
O=C(Cn1cnnn1)N1CC[NH+](CCOc2ccccc2)CC1	ZINC000218103553	376599796	/nfs/dbraw/zinc/59/97/96/376599796.db2.gz	SPIBNUQCRCRXHT-UHFFFAOYSA-N	1	2	316.365	-0.104	50	70		DBIALO
CN(C)S(=O)(=O)CCC[N@@H+]1CCCn2nc(CO)cc2C1	ZINC000217136613	376579644	/nfs/dbraw/zinc/57/96/44/376579644.db2.gz	RSWDUVMFYAYWSK-UHFFFAOYSA-N	1	2	316.427	-0.137	50	70		DBIALO
CN(C)S(=O)(=O)CCC[N@H+]1CCCn2nc(CO)cc2C1	ZINC000217136613	376579648	/nfs/dbraw/zinc/57/96/48/376579648.db2.gz	RSWDUVMFYAYWSK-UHFFFAOYSA-N	1	2	316.427	-0.137	50	70		DBIALO
CC[C@@H](Cn1cc[nH+]c1)NC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O	ZINC000217411431	376586566	/nfs/dbraw/zinc/58/65/66/376586566.db2.gz	BFCYDMJDWJVQDA-JTQLQIEISA-N	1	2	305.338	-0.294	50	70		DBIALO
NS(=O)(=O)N1CCN(C(=O)C[NH+]2Cc3ccccc3C2)CC1	ZINC000217189186	376579540	/nfs/dbraw/zinc/57/95/40/376579540.db2.gz	BDNUMQUJUXUKMZ-UHFFFAOYSA-N	1	2	324.406	-0.650	50	70		DBIALO
C[C@@H](CCC(=O)NCc1c[nH]c(=O)[nH]c1=O)N1CC[NH+](C)CC1	ZINC000218777785	376612764	/nfs/dbraw/zinc/61/27/64/376612764.db2.gz	GISXHQDZKDBVGI-NSHDSACASA-N	1	2	323.397	-0.905	50	70		DBIALO
COc1ccc(C[C@H]([NH3+])C(=O)NCCc2n[nH]c(=O)[nH]2)cc1	ZINC000218075653	376600742	/nfs/dbraw/zinc/60/07/42/376600742.db2.gz	ZWQGQNAOGBDLJG-NSHDSACASA-N	1	2	305.338	-0.665	50	70		DBIALO
C[N@@H+]1CCc2n[nH]c(C(=O)N3CCn4nc(CO)cc4C3)c2C1	ZINC000217189707	376579588	/nfs/dbraw/zinc/57/95/88/376579588.db2.gz	IJWVFURHFZOOTD-UHFFFAOYSA-N	1	2	316.365	-0.258	50	70		DBIALO
C[N@H+]1CCc2n[nH]c(C(=O)N3CCn4nc(CO)cc4C3)c2C1	ZINC000217189707	376579591	/nfs/dbraw/zinc/57/95/91/376579591.db2.gz	IJWVFURHFZOOTD-UHFFFAOYSA-N	1	2	316.365	-0.258	50	70		DBIALO
CC[C@H](Cn1cc[nH+]c1)NC(=O)Cc1c(C)[nH]c(=O)[nH]c1=O	ZINC000217411522	376586748	/nfs/dbraw/zinc/58/67/48/376586748.db2.gz	BFCYDMJDWJVQDA-SNVBAGLBSA-N	1	2	305.338	-0.294	50	70		DBIALO
CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N(C)Cc1nnc(C)o1	ZINC000217015687	376577091	/nfs/dbraw/zinc/57/70/91/376577091.db2.gz	RYMJNBLWIIMYTH-NSHDSACASA-N	1	2	306.326	-0.193	50	70		DBIALO
CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)Cc1nnc(C)o1	ZINC000217015687	376577094	/nfs/dbraw/zinc/57/70/94/376577094.db2.gz	RYMJNBLWIIMYTH-NSHDSACASA-N	1	2	306.326	-0.193	50	70		DBIALO
CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCc2n[nH]cc2C1	ZINC000217739858	376595092	/nfs/dbraw/zinc/59/50/92/376595092.db2.gz	IQXACGIDPDNDDG-ZDUSSCGKSA-N	1	2	302.338	-0.235	50	70		DBIALO
CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCc2n[nH]cc2C1	ZINC000217739858	376595102	/nfs/dbraw/zinc/59/51/02/376595102.db2.gz	IQXACGIDPDNDDG-ZDUSSCGKSA-N	1	2	302.338	-0.235	50	70		DBIALO
CNC(=O)C[N@@H+]1CCN(Cc2cc(C3CC3)n[nH]2)C[C@@H](O)C1	ZINC000216969253	376575370	/nfs/dbraw/zinc/57/53/70/376575370.db2.gz	ZFORLYMMOIKBAP-CYBMUJFWSA-N	1	2	307.398	-0.488	50	70		DBIALO
CNC(=O)C[N@H+]1CCN(Cc2cc(C3CC3)n[nH]2)C[C@@H](O)C1	ZINC000216969253	376575380	/nfs/dbraw/zinc/57/53/80/376575380.db2.gz	ZFORLYMMOIKBAP-CYBMUJFWSA-N	1	2	307.398	-0.488	50	70		DBIALO
O=c1cc(C[N@H+]2CCn3nc(CO)cc3C2)nc2[nH]cnn21	ZINC000217052565	376578520	/nfs/dbraw/zinc/57/85/20/376578520.db2.gz	FJCKUCRNJJBNPO-UHFFFAOYSA-N	1	2	301.310	-0.878	50	70		DBIALO
O=c1cc(C[N@@H+]2CCn3nc(CO)cc3C2)nc2[nH]cnn21	ZINC000217052565	376578531	/nfs/dbraw/zinc/57/85/31/376578531.db2.gz	FJCKUCRNJJBNPO-UHFFFAOYSA-N	1	2	301.310	-0.878	50	70		DBIALO