smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCNC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1Cl	ZINC000216874420	530492638	/nfs/dbraw/zinc/49/26/38/530492638.db2.gz	CKZOMJTYCRYFBH-UHFFFAOYSA-N	1	2	375.878	0.652	40	70		GCIBLO
COc1cc2c(cc1OC)N(C)S(=O)(=O)C(C(=O)N1CC[NH+](C)CC1)=C2C	ZINC000217031058	570311795	/nfs/dbraw/zinc/31/17/95/570311795.db2.gz	ISDBIFCDFXGJRB-UHFFFAOYSA-N	1	2	395.481	0.988	40	70		GCIBLO
CCNS(=O)(=O)c1cc(C(=O)N2CCOCC2)ccc1N1CC[NH+](C)CC1	ZINC000216795228	535498503	/nfs/dbraw/zinc/49/85/03/535498503.db2.gz	SCRNYAUUZNOEHV-UHFFFAOYSA-N	1	2	396.513	0.209	40	70		GCIBLO
COc1ccc(C(=O)N2CCOCC2)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216785999	570306717	/nfs/dbraw/zinc/30/67/17/570306717.db2.gz	IUWMGNCTDKRGIW-UHFFFAOYSA-N	1	2	383.470	0.104	40	70		GCIBLO
Cc1ccc(C(=O)NC[C@H]2CCCO2)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216855433	570308267	/nfs/dbraw/zinc/30/82/67/570308267.db2.gz	HVZAWLRGMBOTEV-MRXNPFEDSA-N	1	2	381.498	0.840	40	70		GCIBLO
Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)NC[C@@H]1CCCO1	ZINC000216861825	570308276	/nfs/dbraw/zinc/30/82/76/570308276.db2.gz	COIRCSJSIHMBAS-HNNXBMFYSA-N	1	2	381.498	0.840	40	70		GCIBLO
CCOCCCNC(=O)c1ccc(CS(=O)(=O)N2CC[NH+](C)CC2)cc1	ZINC000216884987	570308918	/nfs/dbraw/zinc/30/89/18/570308918.db2.gz	KNEBLXLLUJNCGB-UHFFFAOYSA-N	1	2	383.514	0.920	40	70		GCIBLO
CCOc1ccc(N([C@H](C)C(=O)NCC[NH+]2CCOCC2)S(C)(=O)=O)cc1	ZINC000218293733	570330429	/nfs/dbraw/zinc/33/04/29/570330429.db2.gz	GMLMIJODBXPARL-OAHLLOKOSA-N	1	2	399.513	0.688	40	70		GCIBLO
C[C@H](C(=O)NCC[NH+]1CCOCC1)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000218473926	530494655	/nfs/dbraw/zinc/49/46/55/530494655.db2.gz	HSXMJZHRRDTRRG-CYBMUJFWSA-N	1	2	389.905	0.943	40	70		GCIBLO
CCNS(=O)(=O)c1cc(C(=O)N2CCCC2)ccc1N1CC[NH+](C)CC1	ZINC000216795115	535497858	/nfs/dbraw/zinc/49/78/58/535497858.db2.gz	CVZIMVXZVMHIRS-UHFFFAOYSA-N	1	2	380.514	0.973	40	70		GCIBLO
Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)NC[C@H]1CCCO1	ZINC000216861843	570308213	/nfs/dbraw/zinc/30/82/13/570308213.db2.gz	COIRCSJSIHMBAS-OAHLLOKOSA-N	1	2	381.498	0.840	40	70		GCIBLO
C[C@@H](C(=O)NCC[NH+]1CCOCC1)N(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000218473855	530494687	/nfs/dbraw/zinc/49/46/87/530494687.db2.gz	HSXMJZHRRDTRRG-ZDUSSCGKSA-N	1	2	389.905	0.943	40	70		GCIBLO
CNS(=O)(=O)c1cc(C(=O)NCc2ccco2)ccc1N1CC[NH+](C)CC1	ZINC000216789806	536312225	/nfs/dbraw/zinc/31/22/25/536312225.db2.gz	OJFKSXJQUWVOBD-UHFFFAOYSA-N	1	2	392.481	0.870	40	70		GCIBLO
CN(C(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1)[C@@H]1CCCC[C@H]1O	ZINC000216868097	570308571	/nfs/dbraw/zinc/30/85/71/570308571.db2.gz	SAOXHFUDCFCXIK-QZTJIDSGSA-N	1	2	395.525	0.998	40	70		GCIBLO
Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1S(=O)(=O)N1CCN(C)CC1	ZINC000216856883	570308177	/nfs/dbraw/zinc/30/81/77/570308177.db2.gz	SIUSKZFZVCUNCB-UHFFFAOYSA-N	1	2	380.514	0.319	40	70		GCIBLO
CCOc1ccc(N([C@@H](C)C(=O)NCC[NH+]2CCOCC2)S(C)(=O)=O)cc1	ZINC000218293694	570330481	/nfs/dbraw/zinc/33/04/81/570330481.db2.gz	GMLMIJODBXPARL-HNNXBMFYSA-N	1	2	399.513	0.688	40	70		GCIBLO
CNS(=O)(=O)c1cc(C(=O)N2CCCCC2)ccc1N1CC[NH+](C)CC1	ZINC000216792058	136203188	/nfs/dbraw/zinc/20/31/88/136203188.db2.gz	GXPRWKQNJFIWEH-UHFFFAOYSA-N	1	2	380.514	0.973	40	70		GCIBLO
Cc1ccc(C(=O)NC[C@@H]2CCCO2)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216855411	570308155	/nfs/dbraw/zinc/30/81/55/570308155.db2.gz	HVZAWLRGMBOTEV-INIZCTEOSA-N	1	2	381.498	0.840	40	70		GCIBLO