smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCCCC[NH2+]CC#N	ZINC000001586459	342704606	/nfs/dbraw/zinc/70/46/06/342704606.db2.gz	BHSZNPPPFMICJY-UHFFFAOYSA-N	1	2	224.392	4.020	40	30		BIEBLO
CCCCCCCCCCCC[NH+]1CC1	ZINC000001702366	342709938	/nfs/dbraw/zinc/70/99/38/342709938.db2.gz	VTHSQZWBQSWDHD-UHFFFAOYSA-N	1	2	211.393	4.223	40	30		BIEBLO
CC1(C)[C@@H]2C[C@H]1C(/C=[NH+]/c1ccccc1)=CC2	ZINC000003175532	168009630	/nfs/dbraw/zinc/00/96/30/168009630.db2.gz	DGSSDYANFLGMLT-TUNZVQQWSA-N	1	2	225.335	4.381	40	30		BIEBLO
C(/C=C\c1ccccc1)=[NH+]\c1ccccc1	ZINC000005124660	166227617	/nfs/dbraw/zinc/22/76/17/166227617.db2.gz	RGKOSCNIXIHSDE-YTLDOUCOSA-N	1	2	207.276	4.102	40	30		BIEBLO
CC1(C)[C@H]2C[C@@H]1C(/C=[NH+]/c1ccccc1)=CC2	ZINC000005295955	168002837	/nfs/dbraw/zinc/00/28/37/168002837.db2.gz	DGSSDYANFLGMLT-DRMGDSRLSA-N	1	2	225.335	4.381	40	30		BIEBLO
CSC1=C(c2ccccc2)/C(=[NH+]\CC(C)C)C1	ZINC000005613820	384124956	/nfs/dbraw/zinc/12/49/56/384124956.db2.gz	NUPDAVAUWNUYGZ-SSZFMOIBSA-N	1	2	245.391	4.261	40	30		BIEBLO
CSC1=CCCS/C1=[NH+]\c1ccccc1	ZINC000016248650	384455124	/nfs/dbraw/zinc/45/51/24/384455124.db2.gz	LFRNEUZYTINIQD-SEYXRHQNSA-N	1	2	235.377	4.100	40	30		BIEBLO
COc1ccc(/[NH+]=C/C=C\c2ccccc2)cc1	ZINC000016978892	175049772	/nfs/dbraw/zinc/04/97/72/175049772.db2.gz	MBPYUPPKESSJGW-KERZFVRCSA-N	1	2	237.302	4.111	40	30		BIEBLO
C(=C\c1ccccc1)\C=[NH+]/c1ccccc1	ZINC000016978935	166228769	/nfs/dbraw/zinc/22/87/69/166228769.db2.gz	RGKOSCNIXIHSDE-XCRWTIQCSA-N	1	2	207.276	4.102	40	30		BIEBLO
Clc1ccccc1/C=[NH+]/C1CCCCC1	ZINC000017004766	342919139	/nfs/dbraw/zinc/91/91/39/342919139.db2.gz	QYYSYTFBGDYCRM-XNTDXEJSSA-N	1	2	221.731	4.092	40	30		BIEBLO
CCCCC/N=C(C)/C(C)=[NH+]\CCCCC	ZINC000018118948	342931915	/nfs/dbraw/zinc/93/19/15/342931915.db2.gz	RUKFKECDGCTUST-VCFJNTAESA-N	1	2	224.392	4.289	40	30		BIEBLO
CCCCC/N=C(C)\C(C)=[NH+]\CCCCC	ZINC000018118948	342931913	/nfs/dbraw/zinc/93/19/13/342931913.db2.gz	RUKFKECDGCTUST-VCFJNTAESA-N	1	2	224.392	4.289	40	30		BIEBLO
CCCCCCCCCCCCN[NH2+]CCC	ZINC000060107866	342895722	/nfs/dbraw/zinc/89/57/22/342895722.db2.gz	MGSYDHMIPNKNMM-UHFFFAOYSA-N	1	2	242.451	4.412	40	30		BIEBLO
CCCCCCCCCCCC[NH2+]NCCC	ZINC000060107866	342895720	/nfs/dbraw/zinc/89/57/20/342895720.db2.gz	MGSYDHMIPNKNMM-UHFFFAOYSA-N	1	2	242.451	4.412	40	30		BIEBLO
COc1ccc(/[NH+]=C\C=C/c2ccccc2)cc1	ZINC000104138493	175049493	/nfs/dbraw/zinc/04/94/93/175049493.db2.gz	MBPYUPPKESSJGW-FDECCZIWSA-N	1	2	237.302	4.111	40	30		BIEBLO
COc1ccc(/[NH+]=C\C=C\c2ccccc2)cc1	ZINC000104138496	175049922	/nfs/dbraw/zinc/04/99/22/175049922.db2.gz	MBPYUPPKESSJGW-ZCHSMSPKSA-N	1	2	237.302	4.111	40	30		BIEBLO
C(=C/c1ccccc1)\C=[NH+]/c1ccccc1	ZINC000104138513	166225396	/nfs/dbraw/zinc/22/53/96/166225396.db2.gz	RGKOSCNIXIHSDE-SBFJKYRKSA-N	1	2	207.276	4.102	40	30		BIEBLO
Clc1ccccc1/C=[NH+]\C1CCCCC1	ZINC000104153299	384805396	/nfs/dbraw/zinc/80/53/96/384805396.db2.gz	QYYSYTFBGDYCRM-GDNBJRDFSA-N	1	2	221.731	4.092	40	30		BIEBLO
CCCCC/N=C(C)\C(C)=[NH+]/CCCCC	ZINC000104260564	188151274	/nfs/dbraw/zinc/15/12/74/188151274.db2.gz	RUKFKECDGCTUST-VMNXYWKNSA-N	1	2	224.392	4.289	40	30		BIEBLO
CCCCC/N=C(C)/C(C)=[NH+]/CCCCC	ZINC000104260567	398324109	/nfs/dbraw/zinc/32/41/09/398324109.db2.gz	RUKFKECDGCTUST-WXUKJITCSA-N	1	2	224.392	4.289	40	30		BIEBLO