smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])[C@@H]1O[C@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@@H](O)[C@H](O)[C@H]1O	ZINC000001531663	562922398	/nfs/dbraw/zinc/92/23/98/562922398.db2.gz	IKIIZLYTISPENI-YRIDSSQKSA-N	-1	0	446.364	0.142	50	10		ICCARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC=C3C(=O)N(C)C(=O)N(C)C3=O)cc2)n1	ZINC000001776840	562924691	/nfs/dbraw/zinc/92/46/91/562924691.db2.gz	MLLGCNMOSGXXLE-UHFFFAOYSA-N	-1	0	430.446	0.932	50	10		ICCARM
COc1ccc(N2C(=O)C(=CNCCN3CCN(C(C)=O)CC3)C(=O)[N-]C2=S)cc1	ZINC000001838208	536657325	/nfs/dbraw/zinc/65/73/25/536657325.db2.gz	CNOWXWRNRYOXCW-GHRIWEEISA-N	-1	0	431.518	0.081	50	10		ICCARM
O=C([O-])[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000003943903	291317099	/nfs/dbraw/zinc/31/70/99/291317099.db2.gz	IKIIZLYTISPENI-ZFORQUDYSA-N	-1	0	446.364	0.142	50	10	biogenic,in-vitro	ICCARM
COCCCN1C(=O)[N-]C(=O)/C(=C2\C[C@H](c3ccc(N(C)C)cc3)N(C(C)=O)N2)C1=O	ZINC000009130198	569505960	/nfs/dbraw/zinc/50/59/60/569505960.db2.gz	XHVFQTSANHKVEN-FXBHHXAOSA-N	-1	0	429.477	0.920	50	10		ICCARM
O=C1[N-]C(=O)N(c2ccc(I)cc2)C(=O)/C1=C\NN1CCOCC1	ZINC000009310054	132231515	/nfs/dbraw/zinc/23/15/15/132231515.db2.gz	SHXCAEXDAMNZOE-XFXZXTDPSA-N	-1	0	442.213	0.595	50	10		ICCARM
CCOC(=O)c1c(CC(=O)OC)c(C(=O)OC)sc1NC=C1C(=O)[N-]C(=O)NC1=O	ZINC000009705371	569561502	/nfs/dbraw/zinc/56/15/02/569561502.db2.gz	RVNITAYUFAYJTR-UHFFFAOYSA-N	-1	0	439.402	0.089	50	10		ICCARM
COCCCN1C(=O)[N-]C(=O)/C(=C2\C[C@@H](c3ccc(N(C)C)cc3)N(C(C)=O)N2)C1=O	ZINC000013592106	556530066	/nfs/dbraw/zinc/53/00/66/556530066.db2.gz	XHVFQTSANHKVEN-HMNTXPNISA-N	-1	0	429.477	0.920	50	10		ICCARM
O=C([O-])CN1C(=O)/C(=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c2ccccc21	ZINC000015230937	556513019	/nfs/dbraw/zinc/51/30/19/556513019.db2.gz	CFZYPETUCCSAHO-WMUVVQJISA-N	-1	0	438.508	0.876	50	10		ICCARM
O=C([O-])CN1C(=O)/C(=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c2ccccc21	ZINC000015230939	556512982	/nfs/dbraw/zinc/51/29/82/556512982.db2.gz	CFZYPETUCCSAHO-GEUDXBDSSA-N	-1	0	438.508	0.876	50	10		ICCARM
CN1CCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cccc4nonc43)cc2)CC1	ZINC000016400584	556605545	/nfs/dbraw/zinc/60/55/45/556605545.db2.gz	BNUVAKWFWOIBPX-UHFFFAOYSA-N	-1	0	437.503	0.960	50	10		ICCARM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC=C3C(=O)NC(=S)NC3=O)cc2)n1	ZINC000018058325	557234052	/nfs/dbraw/zinc/23/40/52/557234052.db2.gz	SIMGYQILNWUXOO-UHFFFAOYSA-N	-1	0	432.487	0.721	50	10		ICCARM
COc1ccc(CCN2C(=O)[N-]C(=O)C(=CNCCN3CCOCC3)C2=O)cc1OC	ZINC000019371469	556748421	/nfs/dbraw/zinc/74/84/21/556748421.db2.gz	MYWAQRHHMPXYOR-PEZBUJJGSA-N	-1	0	432.477	0.130	50	10		ICCARM
CNC(=S)N1CCN(CCNC=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)CC1	ZINC000020436329	557016466	/nfs/dbraw/zinc/01/64/66/557016466.db2.gz	SHSGXDVRWFMKJJ-DTQAZKPQSA-N	-1	0	446.602	0.338	50	10		ICCARM
COc1ccc(CCN2C(=O)[N-]C(=O)C(=CN[C@H]3C=CS(=O)(=O)C3)C2=O)cc1OC	ZINC000020621854	523946604	/nfs/dbraw/zinc/94/66/04/523946604.db2.gz	FHCYDLTZUIVQNB-LFGHMXSPSA-N	-1	0	435.458	0.109	50	10		ICCARM
COc1ccc(CCN2C(=O)[N-]C(=O)C(=CN[C@@H]3C=CS(=O)(=O)C3)C2=O)cc1OC	ZINC000020621857	523946486	/nfs/dbraw/zinc/94/64/86/523946486.db2.gz	FHCYDLTZUIVQNB-PCRWRXJSSA-N	-1	0	435.458	0.109	50	10		ICCARM
CCc1nnc([N-]S(=O)(=O)c2ccc(NC=C3C(=O)NC(=S)NC3=O)cc2)s1	ZINC000023114574	557064122	/nfs/dbraw/zinc/06/41/22/557064122.db2.gz	HEKUTZKBOPYQCI-UHFFFAOYSA-N	-1	0	438.516	0.728	50	10		ICCARM
O=C([O-])[C@H]1O[C@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000034114798	569587491	/nfs/dbraw/zinc/58/74/91/569587491.db2.gz	IKIIZLYTISPENI-UNJWAJPSSA-N	-1	0	446.364	0.142	50	10	world	ICCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(S(=O)(=O)NCCO)cc3)C2=O)cc1	ZINC000095470869	569371825	/nfs/dbraw/zinc/37/18/25/569371825.db2.gz	IIBQCGZOWZXPRX-ATVHPVEESA-N	-1	0	444.469	0.844	50	10		ICCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=CNc3ccc(S(=O)(=O)NCCO)cc3)C2=O)c1	ZINC000095470870	569371820	/nfs/dbraw/zinc/37/18/20/569371820.db2.gz	BHYUTMQEJWVOSV-ATVHPVEESA-N	-1	0	444.469	0.844	50	10		ICCARM
COc1ccc(CCN2C(=O)[N-]C(=O)C(=CNCCN3CCOCC3)C2=O)cc1OC	ZINC000101043152	557215451	/nfs/dbraw/zinc/21/54/51/557215451.db2.gz	MYWAQRHHMPXYOR-JQIJEIRASA-N	-1	0	432.477	0.130	50	10		ICCARM
COc1ccc(CCN2C(=O)[N-]C(=O)C(=CN[C@H]3C=CS(=O)(=O)C3)C2=O)cc1OC	ZINC000102702035	557365758	/nfs/dbraw/zinc/36/57/58/557365758.db2.gz	FHCYDLTZUIVQNB-ODUNQGDFSA-N	-1	0	435.458	0.949	50	10		ICCARM
COc1ccc(CCN2C(=O)[N-]C(=O)C(=CN[C@@H]3C=CS(=O)(=O)C3)C2=O)cc1OC	ZINC000102702037	557365779	/nfs/dbraw/zinc/36/57/79/557365779.db2.gz	FHCYDLTZUIVQNB-JFBXQDQPSA-N	-1	0	435.458	0.949	50	10		ICCARM
O=C([O-])[C@@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)[C@@H](O)[C@H](O)[C@H]1O	ZINC000199027146	569261616	/nfs/dbraw/zinc/26/16/16/569261616.db2.gz	IKIIZLYTISPENI-GQUPQBGVSA-N	-1	0	446.364	0.142	50	10		ICCARM