smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc2[nH]c(=O)c(CN(CCN3CCCC3)C(=S)NCCC[NH+](C)C)cc2c1	ZINC000006196622	521283787	/nfs/dbraw/zinc/28/37/87/521283787.db2.gz	JCTOWMAUABOKPM-UHFFFAOYSA-N	1	3	459.660	2.651	40	0		JFABHO
COC1=CC2=C(NC3CCN(Cc4ccccc4)CC3)NC(N3CCCN(C)CC3)=[NH+][C@H]2C=C1OC	ZINC000101793447	569805170	/nfs/dbraw/zinc/80/51/70/569805170.db2.gz	ZIFDJNNXBBNSTD-RPWUZVMVSA-N	1	3	492.668	2.705	40	0	in-vitro	JFABHO
C[N@@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@@H]1C1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1	ZINC000222014928	569883819	/nfs/dbraw/zinc/88/38/19/569883819.db2.gz	STUBVOZISIFDOB-FGCOXFRFSA-N	1	3	452.574	2.893	40	0		JFABHO
C[N@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@@H]1C1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1	ZINC000222014928	569883820	/nfs/dbraw/zinc/88/38/20/569883820.db2.gz	STUBVOZISIFDOB-FGCOXFRFSA-N	1	3	452.574	2.893	40	0		JFABHO
CC(=O)N[C@]12C[NH2+][C@H](c3ccccc3)[C@H]1CN(C(=O)c1ccc(OCCN3CCCC3)cc1)CC2	ZINC000257286803	570134650	/nfs/dbraw/zinc/13/46/50/570134650.db2.gz	PNCYKNUDZMYBFK-STROYTFGSA-N	1	3	476.621	2.843	40	0		JFABHO
CC(=O)N[C@]12C[NH2+][C@H](c3ccccc3)[C@H]1CN(C(=O)c1cccc(OCCN3CCCC3)c1)CC2	ZINC000257304648	570139732	/nfs/dbraw/zinc/13/97/32/570139732.db2.gz	SMMRKKQWODGIIB-STROYTFGSA-N	1	3	476.621	2.843	40	0		JFABHO
O=C(Nc1ccccc1C1=NCCN1)c1ccc(C(=O)Nc2ccccc2C2=[NH+]CCN2)cc1	ZINC000001668428	194130945	/nfs/dbraw/zinc/13/09/45/194130945.db2.gz	AELRLBOQEXSCBC-UHFFFAOYSA-N	1	3	452.518	2.891	40	0		JFABHO
CC(=O)N[C@]12CN(C(=O)c3ccc(OCCN4CCCC4)cc3)[C@H](c3ccccc3)[C@H]1C[NH2+]CC2	ZINC000257335145	570148989	/nfs/dbraw/zinc/14/89/89/570148989.db2.gz	YIVUURDKIYSAEK-STROYTFGSA-N	1	3	476.621	2.843	40	0		JFABHO
CC(=O)N[C@]12CN(CC3(O)CCN(c4ccc(C)cc4)CC3)[C@H](c3ccccc3)[C@H]1CC[NH2+]C2	ZINC000257338712	570150000	/nfs/dbraw/zinc/15/00/00/570150000.db2.gz	YYPUZAZUUIDXSJ-STROYTFGSA-N	1	3	462.638	2.868	40	0		JFABHO
COc1ccc(CN(C)[C@H]2CN(Cc3ccc(OCCC[NH+](C)C)c(OC)c3)C[C@@H]2O)cc1	ZINC000257341278	570150668	/nfs/dbraw/zinc/15/06/68/570150668.db2.gz	ZJQRQRYUWVZAGO-ZEQRLZLVSA-N	1	3	457.615	2.711	40	0		JFABHO
CN(C)[C@@H]1C[C@@H](C(N)=O)N(C(=O)c2ccc(OCC[NH+]3CCCCC3)cc2)[C@H]1c1ccccc1	ZINC000257206432	570109841	/nfs/dbraw/zinc/10/98/41/570109841.db2.gz	BDJVXERNMAXWRZ-DSITVLBTSA-N	1	3	464.610	2.923	40	0		JFABHO
CCOc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)NCCC[NH+](CC)CC)cc2c1	ZINC000006193075	521284244	/nfs/dbraw/zinc/28/42/44/521284244.db2.gz	PUGUYOOCXIOIGN-UHFFFAOYSA-N	1	3	461.676	2.897	40	0		JFABHO
CN(C)CCNc1nc(NCCC2CC[NH2+]CC2)cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000329017451	570181791	/nfs/dbraw/zinc/18/17/91/570181791.db2.gz	NMDWAKBAPMNOGQ-UHFFFAOYSA-N	1	3	452.525	2.661	40	0		JFABHO
C[N@@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@@H]1C1CCN(C(=O)[C@H](N)Cc2ccccc2)CC1	ZINC000057774399	195360025	/nfs/dbraw/zinc/36/00/25/195360025.db2.gz	STUBVOZISIFDOB-AGILITTLSA-N	1	3	452.574	2.893	40	0		JFABHO
C[N@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@@H]1C1CCN(C(=O)[C@H](N)Cc2ccccc2)CC1	ZINC000057774399	195360027	/nfs/dbraw/zinc/36/00/27/195360027.db2.gz	STUBVOZISIFDOB-AGILITTLSA-N	1	3	452.574	2.893	40	0		JFABHO
NC(=[NH2+])Nc1ccc2c(c1)[nH]c1c2C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5	ZINC000013863070	563003201	/nfs/dbraw/zinc/00/32/01/563003201.db2.gz	XDKOGAAFSBGLBO-GYHUNEDQSA-N	1	3	471.561	2.878	40	0		JFABHO
C[NH+](C)[C@H]1CC2(CCN(Cc3cc(OCc4ccccc4)ccc3OCC(N)=O)CC2)OC[C@]1(C)O	ZINC000257257793	570125525	/nfs/dbraw/zinc/12/55/25/570125525.db2.gz	KRCIAQIXKQSOKO-BDYUSTAISA-N	1	3	497.636	2.566	40	0		JFABHO
COC1=CC2=C(NC3CCN(Cc4ccccc4)CC3)NC(N3CCCN(C)CC3)=[NH+][C@@H]2C=C1OC	ZINC000045789204	522650710	/nfs/dbraw/zinc/65/07/10/522650710.db2.gz	ZIFDJNNXBBNSTD-BJKOFHAPSA-N	1	3	492.668	2.705	40	0	in-vitro	JFABHO
C[N@@H+]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[C@@H]1C1CCN(C(=O)[C@H](N)Cc2ccccc2)CC1	ZINC000057774402	195359924	/nfs/dbraw/zinc/35/99/24/195359924.db2.gz	STUBVOZISIFDOB-TUACAJSNSA-N	1	3	452.574	2.893	40	0		JFABHO
C[N@H+]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[C@@H]1C1CCN(C(=O)[C@H](N)Cc2ccccc2)CC1	ZINC000057774402	195359927	/nfs/dbraw/zinc/35/99/27/195359927.db2.gz	STUBVOZISIFDOB-TUACAJSNSA-N	1	3	452.574	2.893	40	0		JFABHO
NC(=[NH2+])Nc1ccc2[nH]c3c(c2c1)C[C@]1(O)[C@@H]2Cc4ccc(O)c5c4[C@]1(CCN2CC1CC1)[C@@H]3O5	ZINC000008036036	562938931	/nfs/dbraw/zinc/93/89/31/562938931.db2.gz	VLNHDKDBGWXJEE-AUTMPROSSA-N	1	3	471.561	2.878	40	0		JFABHO
C[N@@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@H]1C1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1	ZINC000248149643	570075505	/nfs/dbraw/zinc/07/55/05/570075505.db2.gz	STUBVOZISIFDOB-QDSKXPNFSA-N	1	3	452.574	2.893	40	0		JFABHO
C[N@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@H]1C1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1	ZINC000248149643	570075506	/nfs/dbraw/zinc/07/55/06/570075506.db2.gz	STUBVOZISIFDOB-QDSKXPNFSA-N	1	3	452.574	2.893	40	0		JFABHO
O=C(Nc1cccc(C(=O)Nc2ccc(C3=[NH+]CCN3)cc2)c1)c1ccc(C2=NCCN2)cc1	ZINC000001691656	194131690	/nfs/dbraw/zinc/13/16/90/194131690.db2.gz	PFGQCHVEBFCZAJ-UHFFFAOYSA-N	1	3	452.518	2.891	40	0		JFABHO
COC1=CC2=C(NC3CCN(Cc4ccccc4)CC3)NC(N3CCCN(C)CC3)=[NH+][C@H]2C=C1OC	ZINC000045789207	522650472	/nfs/dbraw/zinc/65/04/72/522650472.db2.gz	ZIFDJNNXBBNSTD-ZEQRLZLVSA-N	1	3	492.668	2.705	40	0	in-vitro	JFABHO
C[N@@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@H]1C1CCN(C(=O)[C@H](N)Cc2ccccc2)CC1	ZINC000248149011	570075496	/nfs/dbraw/zinc/07/54/96/570075496.db2.gz	STUBVOZISIFDOB-HUVFLSCGSA-N	1	3	452.574	2.893	40	0		JFABHO
C[N@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@H]1C1CCN(C(=O)[C@H](N)Cc2ccccc2)CC1	ZINC000248149011	570075498	/nfs/dbraw/zinc/07/54/98/570075498.db2.gz	STUBVOZISIFDOB-HUVFLSCGSA-N	1	3	452.574	2.893	40	0		JFABHO