smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccccc1N1C(=O)[N-]C(=O)C(=CNN=c2[nH]c3c(c(=O)n(C)c(=O)n3C)n2C)C1=O	ZINC000001778654	194138693	/nfs/dbraw/zinc/13/86/93/194138693.db2.gz	AQJPVHDXOWHCBW-KTKRTIGZSA-N	-1	0	468.430	-0.097	50	10		JBCARM
Cn1c2c([nH]c1=NNC=C1C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C1=O)n(C)c(=O)n(C)c2=O	ZINC000008386141	554569156	/nfs/dbraw/zinc/56/91/56/554569156.db2.gz	FXAYTKNDTXFTNA-FLIBITNWSA-N	-1	0	488.917	-0.128	50	10		JBCARM
Cc1cccc(N2C(=O)C(=CNN=c3[nH]c4c(c(=O)n(C)c(=O)n4C)n3C)C(=O)[N-]C2=S)c1	ZINC000008682631	562951568	/nfs/dbraw/zinc/95/15/68/562951568.db2.gz	RRMOQFMMZFHSAG-XFXZXTDPSA-N	-1	0	468.499	-0.473	50	10		JBCARM
Cc1ccccc1N1C(=O)C(=CNN=c2[nH]c3c(c(=O)n(C)c(=O)n3C)n2C)C(=O)[N-]C1=S	ZINC000008682632	562951603	/nfs/dbraw/zinc/95/16/03/562951603.db2.gz	FBTHGRKYCPQOEI-LUAWRHEFSA-N	-1	0	468.499	-0.473	50	10		JBCARM
CN1C(=O)N(C)C(=O)C2(Cc3cc(NC=C4C(=O)[N-]C(=O)NC4=O)ccc3N3CCC[C@@H]32)C1=O	ZINC000009111276	554898535	/nfs/dbraw/zinc/89/85/35/554898535.db2.gz	ZMNABQVZRNDPLG-OAHLLOKOSA-N	-1	0	466.454	-0.090	50	10		JBCARM
CN1C(=O)N(C)C(=O)C2(Cc3cc(NC=C4C(=O)[N-]C(=O)NC4=O)ccc3N3CCC[C@H]32)C1=O	ZINC000009111277	554898576	/nfs/dbraw/zinc/89/85/76/554898576.db2.gz	ZMNABQVZRNDPLG-HNNXBMFYSA-N	-1	0	466.454	-0.090	50	10		JBCARM
CN1C(=O)[N-]C(=O)/C(=C\c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2COCCN32)C1=O	ZINC000009123592	554914444	/nfs/dbraw/zinc/91/44/44/554914444.db2.gz	ZUMFPLYRXQDFFJ-SCZPIIQISA-N	-1	0	481.465	-0.424	50	10		JBCARM
CN1C(=O)[N-]C(=O)/C(=C\c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2COCCN32)C1=O	ZINC000009123593	554914439	/nfs/dbraw/zinc/91/44/39/554914439.db2.gz	ZUMFPLYRXQDFFJ-IDJPSDCMSA-N	-1	0	481.465	-0.424	50	10		JBCARM
CCOc1ccccc1N1C(=O)[N-]C(=O)C(=CNN=c2[nH]c3c(c(=O)n(C)c(=O)n3C)n2C)C1=O	ZINC000009157981	554947199	/nfs/dbraw/zinc/94/71/99/554947199.db2.gz	JKQPWBYLVPTGNI-KHPPLWFESA-N	-1	0	482.457	-0.547	50	10		JBCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNN=c3[nH]c4c(c(=O)n(C)c(=O)n4C)n3C)C2=O)cc1C	ZINC000009192441	554965608	/nfs/dbraw/zinc/96/56/08/554965608.db2.gz	LUTRDSWEYMFYJH-LCYFTJDESA-N	-1	0	466.458	-0.329	50	10		JBCARM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNN=c2[nH]c3c(c(=O)n(C)c(=O)n3C)n2C)C1=O	ZINC000009209412	554978316	/nfs/dbraw/zinc/97/83/16/554978316.db2.gz	HMGVNFPMWWIASU-LUAWRHEFSA-N	-1	0	452.431	-0.637	50	10		JBCARM
Cc1ccc(N2C(=O)C(=CNN=c3[nH]c4c(c(=O)n(C)c(=O)n4C)n3C)C(=O)[N-]C2=S)cc1	ZINC000009292744	555067842	/nfs/dbraw/zinc/06/78/42/555067842.db2.gz	PBCQWKJVXBJETF-XFXZXTDPSA-N	-1	0	468.499	-0.473	50	10		JBCARM
Cn1c2c([nH]c1=NNC=C1C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C1=O)n(C)c(=O)n(C)c2=O	ZINC000009293004	555068077	/nfs/dbraw/zinc/06/80/77/555068077.db2.gz	MPTMMOPZXLFNHK-FLIBITNWSA-N	-1	0	472.849	-0.293	50	10		JBCARM
Cn1c2c([nH]c1=NNC=C1C(=O)[N-]C(=S)N(c3ccccc3)C1=O)n(C)c(=O)n(C)c2=O	ZINC000009311976	555088580	/nfs/dbraw/zinc/08/85/80/555088580.db2.gz	OHGDZAWCGHSJEP-LUAWRHEFSA-N	-1	0	454.472	-0.781	50	10		JBCARM
Cn1c2c([nH]c1=NNC=C1C(=O)[N-]C(=O)N(c3ccccc3Cl)C1=O)n(C)c(=O)n(C)c2=O	ZINC000009312608	555088868	/nfs/dbraw/zinc/08/88/68/555088868.db2.gz	GRWJUOSYCAZCOJ-HJWRWDBZSA-N	-1	0	472.849	-0.293	50	10		JBCARM
CN1C(=O)N(C)C(=O)C2(Cc3cc(C=C4C(=O)[N-]C(=O)NC4=O)ccc3N3CCC[C@@H]32)C1=O	ZINC000009581059	555387472	/nfs/dbraw/zinc/38/74/72/555387472.db2.gz	HPYTUDYERNJVPU-OAHLLOKOSA-N	-1	0	451.439	-0.002	50	10		JBCARM
CN1C(=O)N(C)C(=O)C2(Cc3cc(C=C4C(=O)[N-]C(=O)NC4=O)ccc3N3CCC[C@H]32)C1=O	ZINC000009581061	555387487	/nfs/dbraw/zinc/38/74/87/555387487.db2.gz	HPYTUDYERNJVPU-HNNXBMFYSA-N	-1	0	451.439	-0.002	50	10		JBCARM
COc1ccccc1N1C(=O)C(=CNN=c2[nH]c3c(c(=O)n(C)c(=O)n3C)n2C)C(=O)[N-]C1=S	ZINC000013165763	555368816	/nfs/dbraw/zinc/36/88/16/555368816.db2.gz	UXEFTTMSELRVDO-KTKRTIGZSA-N	-1	0	484.498	-0.772	50	10		JBCARM
COc1ccc(N2C(=O)C(=CNN=c3[nH]c4c(c(=O)n(C)c(=O)n4C)n3C)C(=O)[N-]C2=S)cc1	ZINC000013175085	555369162	/nfs/dbraw/zinc/36/91/62/555369162.db2.gz	SDSUAEBRJNCDKR-XFXZXTDPSA-N	-1	0	484.498	-0.772	50	10		JBCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNN=c3[nH]c4c(c(=O)n(C)c(=O)n4C)n3C)C2=O)cc1	ZINC000013806611	555623764	/nfs/dbraw/zinc/62/37/64/555623764.db2.gz	AFWRJEGDBOMKLK-XFXZXTDPSA-N	-1	0	468.430	-0.733	50	10		JBCARM
Cn1c2c([nH]c1=NNC=C1C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C1=O)n(C)c(=O)n(C)c2=O	ZINC000016956314	556187303	/nfs/dbraw/zinc/18/73/03/556187303.db2.gz	QAIYFZBAWKIOOI-WQLSENKSSA-N	-1	0	470.421	-0.607	50	10		JBCARM
O=C(CN1CCN(CCNC=C2C(=O)[N-]C(=O)NC2=O)CC1)Nc1ccc(Br)cc1	ZINC000020136216	526771239	/nfs/dbraw/zinc/77/12/39/526771239.db2.gz	GZGKYPGQICNHJQ-UHFFFAOYSA-N	-1	0	479.335	-0.155	50	10		JBCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNN=c3[nH]c4c(c(=O)n(C)c(=O)n4C)n3C)C2=O)cc1	ZINC000086049252	569717041	/nfs/dbraw/zinc/71/70/41/569717041.db2.gz	AFWRJEGDBOMKLK-FMIVXFBMSA-N	-1	0	468.430	-0.937	50	10		JBCARM
O=c1[nH]c(=S)[nH]c([O-])c1C=Nc1cc(NC=C2C(=O)NC(=S)NC2=O)ccc1Cl	ZINC000098087114	569750654	/nfs/dbraw/zinc/75/06/54/569750654.db2.gz	RCGULDDBYUCILR-UHFFFAOYSA-N	-1	0	450.889	-0.007	50	10		JBCARM