smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CCN(CCCNC(=O)C3CCN(S(=O)(=O)N4CCOCC4)CC3)CC2)cc1	ZINC000008814218	553151317	/nfs/dbraw/zinc/15/13/17/553151317.db2.gz	FHYTXPABQMKHFT-UHFFFAOYSA-N	0	1	509.673	0.613	50	10		KCCAMN
O=C([O-])CCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CC[NH+](CCO)CC2)SC1=S	ZINC000008872570	553173560	/nfs/dbraw/zinc/17/35/60/553173560.db2.gz	QBLBURUSRKHOTK-PEZBUJJGSA-N	0	1	503.606	0.875	50	10		KCCAMN
COCCN1C(=O)NC(=O)/C(=C\c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C1=O	ZINC000009302977	553236395	/nfs/dbraw/zinc/23/63/95/553236395.db2.gz	ZYSXPJMCXYUKGZ-FXFXYLOPSA-N	0	1	509.519	0.357	50	10		KCCAMN
COCCN1C(=O)NC(=O)/C(=C\c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C1=O	ZINC000009302980	553236479	/nfs/dbraw/zinc/23/64/79/553236479.db2.gz	ZYSXPJMCXYUKGZ-QIPRVMPFSA-N	0	1	509.519	0.357	50	10		KCCAMN
COCCN1C(=O)NC(=O)C(=CNc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C1=O	ZINC000009348581	553244761	/nfs/dbraw/zinc/24/47/61/553244761.db2.gz	LSWAVVBDYUTZHU-BBLCHGJFSA-N	0	1	524.534	0.269	50	10		KCCAMN
COCCN1C(=O)NC(=O)C(=CNc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C1=O	ZINC000009348583	553244756	/nfs/dbraw/zinc/24/47/56/553244756.db2.gz	LSWAVVBDYUTZHU-ZUTYSQTGSA-N	0	1	524.534	0.269	50	10		KCCAMN
COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1	ZINC000016215022	553556789	/nfs/dbraw/zinc/55/67/89/553556789.db2.gz	SZHUINHJMSQJQT-UHFFFAOYSA-N	0	1	511.495	0.095	50	10		KCCAMN
CCCCN1C(=O)[N-]C(=O)/C(=C\c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2C[N@H+](C)CCN32)C1=O	ZINC000097968078	553927496	/nfs/dbraw/zinc/92/74/96/553927496.db2.gz	HIAKTWYIOJPKGI-ITICKHJUSA-N	0	1	536.589	0.662	50	10		KCCAMN
CCCCN1C(=O)[N-]C(=O)/C(=C\c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2C[N@H+](C)CCN32)C1=O	ZINC000097968079	553927434	/nfs/dbraw/zinc/92/74/34/553927434.db2.gz	HIAKTWYIOJPKGI-ZPBCLNFZSA-N	0	1	536.589	0.662	50	10		KCCAMN
CC[N@H+]1CCN2c3ccc(NC=C4C(=O)[N-]C(=O)N(C(C)C)C4=O)cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]2C1	ZINC000097968168	553928808	/nfs/dbraw/zinc/92/88/08/553928808.db2.gz	MMPCPWSTMDGFJB-LVSKKATPSA-N	0	1	551.604	0.573	50	10		KCCAMN
CN1C(=O)N(C)C(=O)C2(Cc3cc(/C=C4\C(=O)[N-]C(=O)N(C(C)(C)C)C4=O)ccc3N3CC[N@@H+](C)C[C@@H]32)C1=O	ZINC000097968379	553931626	/nfs/dbraw/zinc/93/16/26/553931626.db2.gz	VIPVLZRGLSNFAT-XYSGSMRZSA-N	0	1	536.589	0.660	50	10		KCCAMN
CN1C(=O)N(C)C(=O)C2(Cc3cc(/C=C4\C(=O)[N-]C(=O)N(C(C)(C)C)C4=O)ccc3N3CC[N@@H+](C)C[C@H]32)C1=O	ZINC000097968380	553931549	/nfs/dbraw/zinc/93/15/49/553931549.db2.gz	VIPVLZRGLSNFAT-WPNIOXTASA-N	0	1	536.589	0.660	50	10		KCCAMN
CC[N@H+]1CCN2c3ccc(NC=C4C(=O)N(C)C(=O)N(C)C4=O)cc3C[C@@]3(C(=O)[N-]C(=O)NC3=O)[C@H]2C1	ZINC000245329056	572235214	/nfs/dbraw/zinc/23/52/14/572235214.db2.gz	XJQLIDITBVTWNG-QGZVFWFLSA-N	0	1	509.523	0.497	50	10		KCCAMN
CC[N@@H+]1CCN2c3ccc(NC=C4C(=O)N(C)C(=O)N(C)C4=O)cc3C[C@@]3(C(=O)[N-]C(=O)NC3=O)[C@H]2C1	ZINC000245329056	572235213	/nfs/dbraw/zinc/23/52/13/572235213.db2.gz	XJQLIDITBVTWNG-QGZVFWFLSA-N	0	1	509.523	0.497	50	10		KCCAMN
CC[N@H+]1CCN2c3ccc(NC=C4C(=O)N(C)C(=O)N(C)C4=O)cc3C[C@]3(C(=O)[N-]C(=O)NC3=O)[C@H]2C1	ZINC000245329056	572235212	/nfs/dbraw/zinc/23/52/12/572235212.db2.gz	XJQLIDITBVTWNG-QGZVFWFLSA-N	0	1	509.523	0.497	50	10		KCCAMN
CC[N@@H+]1CCN2c3ccc(NC=C4C(=O)N(C)C(=O)N(C)C4=O)cc3C[C@]3(C(=O)[N-]C(=O)NC3=O)[C@H]2C1	ZINC000245329056	572235211	/nfs/dbraw/zinc/23/52/11/572235211.db2.gz	XJQLIDITBVTWNG-QGZVFWFLSA-N	0	1	509.523	0.497	50	10		KCCAMN
CC[N@H+]1CCN2c3ccc(NC=C4C(=O)N(C)C(=O)N(C)C4=O)cc3CC3(C(=O)NC(=O)NC3=O)[C@H]2C1	ZINC000245329056	572235209	/nfs/dbraw/zinc/23/52/09/572235209.db2.gz	XJQLIDITBVTWNG-QGZVFWFLSA-N	0	1	509.523	0.497	50	10		KCCAMN