smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C)c(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(C(=O)[O-])cc2)c1	ZINC000002414819	569301413	/nfs/dbraw/zinc/30/14/13/569301413.db2.gz	WYFQYJGTIAGQDQ-UHFFFAOYSA-N	-1	2	448.504	4.489	50	0		IIAALM
Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(C(=O)[O-])c2)c(C)c1	ZINC000002425142	569302479	/nfs/dbraw/zinc/30/24/79/569302479.db2.gz	SUCANYWABICUEC-UHFFFAOYSA-N	-1	2	448.504	4.489	50	0		IIAALM
CCCCN(Cc1ccccc1)c1ncc(NS(=O)(=O)c2cccs2)cc1C(=O)[O-]	ZINC000035397573	520543934	/nfs/dbraw/zinc/54/39/34/520543934.db2.gz	FCGOTHWMHREREB-UHFFFAOYSA-N	-1	2	445.566	4.449	50	0		IIAALM
Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(C(=O)[O-])cc2)c(C)c1	ZINC000002408274	569300336	/nfs/dbraw/zinc/30/03/36/569300336.db2.gz	JMURAVVKUNDUFE-UHFFFAOYSA-N	-1	2	448.504	4.489	50	0		IIAALM
Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(C(=O)[O-])cc2)cc1	ZINC000003146437	569440909	/nfs/dbraw/zinc/44/09/09/569440909.db2.gz	QDQSHWYDGZAZAV-UHFFFAOYSA-N	-1	2	434.477	4.181	50	0		IIAALM
Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(C(=O)[O-])cc2)cc1C	ZINC000006023688	569584270	/nfs/dbraw/zinc/58/42/70/569584270.db2.gz	SCIFYRMRRWAEDL-UHFFFAOYSA-N	-1	2	448.504	4.489	50	0		IIAALM
Cc1cc([O-])c(CC(Cc2c(O)cc(C)oc2=O)c2ccc(Cl)c(Cl)c2)c(=O)o1	ZINC000016756402	556639206	/nfs/dbraw/zinc/63/92/06/556639206.db2.gz	BDULVGZZFNQLJC-UHFFFAOYSA-N	-1	2	437.275	4.497	50	0		IIAALM
O=C1[C@H]2ON=C(c3ccc(Cl)cc3Cl)C2=C(O)N1c1cccc(Br)c1	ZINC000101040495	557215105	/nfs/dbraw/zinc/21/51/05/557215105.db2.gz	PHEBGPCTWJFKSU-HIFRSBDPSA-N	-1	2	440.080	4.048	50	0		IIAALM
O=c1[nH]c2ccccc2c([O-])c1C(c1ccc(F)cc1)c1c(=O)[nH]c2ccccc2c1O	ZINC000009190012	556252683	/nfs/dbraw/zinc/25/26/83/556252683.db2.gz	KWZFMGZDBLVYKF-UHFFFAOYSA-N	-1	2	428.419	4.100	50	0		IIAALM
Cc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(C(=O)[O-])c2)c1	ZINC000002345698	555770553	/nfs/dbraw/zinc/77/05/53/555770553.db2.gz	WMOMRTBRBCLZCA-UHFFFAOYSA-N	-1	2	434.477	4.181	50	0		IIAALM
O=C([O-])c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c(Br)s1	ZINC000032585656	556405148	/nfs/dbraw/zinc/40/51/48/556405148.db2.gz	KBRITTNMHKOEDQ-UHFFFAOYSA-N	-1	2	430.223	4.028	50	0		IIAALM
O=C([O-])c1csc(S(=O)(=O)Nc2ccc3[nH]c(-c4ccccc4Cl)nc3c2)c1	ZINC000072027213	556761074	/nfs/dbraw/zinc/76/10/74/556761074.db2.gz	FAPHLZBUCRHHPB-UHFFFAOYSA-N	-1	2	433.898	4.444	50	0		IIAALM
CCCc1cc2c(cc1O)oc(COCC(=O)[O-])c(-c1nc3ccccc3s1)c2=O	ZINC000001155565	562920647	/nfs/dbraw/zinc/92/06/47/562920647.db2.gz	QICRAZJGPNUXLJ-UHFFFAOYSA-N	-1	2	425.462	4.329	50	0		IIAALM
O=C([O-])c1ccc([C@@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c32)cc1	ZINC000217801909	569453561	/nfs/dbraw/zinc/45/35/61/569453561.db2.gz	PGRLXHDKGGWCME-INIZCTEOSA-N	-1	2	444.395	4.010	50	0	biogenic	IIAALM
CC(C)CN(CC(C)C)c1ncc(NS(=O)(=O)c2ccc(Cl)s2)cc1C(=O)[O-]	ZINC000035397517	519713614	/nfs/dbraw/zinc/71/36/14/519713614.db2.gz	GPISBBOKAPZJMG-UHFFFAOYSA-N	-1	2	445.994	4.414	50	0		IIAALM
Cc1cc(S(=O)(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)sc1C(=O)[O-]	ZINC000170661176	569192475	/nfs/dbraw/zinc/19/24/75/569192475.db2.gz	UBVOMCJLTUKIGZ-UHFFFAOYSA-N	-1	2	428.491	4.288	50	0		IIAALM
O=C([O-])c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2)cc1	ZINC000002394824	562927402	/nfs/dbraw/zinc/92/74/02/562927402.db2.gz	PIULBZSENAIQJZ-UHFFFAOYSA-N	-1	2	438.440	4.012	50	0		IIAALM
O=C([O-])c1ccc([C@H]2CC(=O)Oc3cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc4c32)cc1	ZINC000217801976	569453554	/nfs/dbraw/zinc/45/35/54/569453554.db2.gz	PGRLXHDKGGWCME-MRXNPFEDSA-N	-1	2	444.395	4.010	50	0	biogenic	IIAALM
COc1cc(OC)c(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc1Cl	ZINC000003251851	555909026	/nfs/dbraw/zinc/90/90/26/555909026.db2.gz	GZRALVIQOKBQGS-UHFFFAOYSA-N	-1	2	440.688	4.163	50	0		IIAALM
O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)s1	ZINC000032585554	556405133	/nfs/dbraw/zinc/40/51/33/556405133.db2.gz	UGUIGLVPAHDIPO-UHFFFAOYSA-N	-1	2	431.116	4.316	50	0		IIAALM
Cc1c(C(=O)[O-])sc2nc3c(Cl)cc(C(=O)c4cc(Cl)ccc4O)cn3c(=O)c12	ZINC000023883294	557123871	/nfs/dbraw/zinc/12/38/71/557123871.db2.gz	IJQWGJONATZWTQ-UHFFFAOYSA-N	-1	2	449.271	4.159	50	0		IIAALM
COc1ccc(OC)c(S(=O)(=O)Nc2cc3c(C(=O)[O-])c(C)oc3c3ccccc23)c1	ZINC000011851831	556661520	/nfs/dbraw/zinc/66/15/20/556661520.db2.gz	OUHKSEIEGUHTSO-UHFFFAOYSA-N	-1	2	441.461	4.411	50	0		IIAALM
COc1cc([C@@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccc(C(=O)[O-])cc2)ccc1O	ZINC000008671893	562960999	/nfs/dbraw/zinc/96/09/99/562960999.db2.gz	HHHXHHVGVHIZFI-HSZRJFAPSA-N	-1	2	441.443	4.239	50	0		IIAALM
O=C([O-])CC1(CC(=O)Nc2ccccc2NS(=O)(=O)c2cccs2)CCCCC1	ZINC000012739467	527568192	/nfs/dbraw/zinc/56/81/92/527568192.db2.gz	YROQZVVODOFSAE-UHFFFAOYSA-N	-1	2	436.555	4.303	50	0		IIAALM
Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(C(=O)[O-])c2)cc1	ZINC000000754646	555553806	/nfs/dbraw/zinc/55/38/06/555553806.db2.gz	IGZWBYQSQLIIJW-UHFFFAOYSA-N	-1	2	434.477	4.181	50	0		IIAALM
Cc1ccc(C)c(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(C(=O)[O-])c2)c1	ZINC000016955824	556650405	/nfs/dbraw/zinc/65/04/05/556650405.db2.gz	XVAZOHACHNJIRI-UHFFFAOYSA-N	-1	2	448.504	4.489	50	0		IIAALM
COc1cc([C@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccc(C(=O)[O-])cc2)ccc1O	ZINC000008671894	562961024	/nfs/dbraw/zinc/96/10/24/562961024.db2.gz	HHHXHHVGVHIZFI-QHCPKHFHSA-N	-1	2	441.443	4.239	50	0		IIAALM
O=C([O-])c1cc(NS(=O)(=O)c2ccc(Br)s2)cc(C(F)(F)F)c1	ZINC000057769710	569441299	/nfs/dbraw/zinc/44/12/99/569441299.db2.gz	GYGRUFHWGGYFTJ-UHFFFAOYSA-N	-1	2	430.223	4.028	50	0		IIAALM
Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(C(=O)[O-])c2)cc1C	ZINC000006088362	569584329	/nfs/dbraw/zinc/58/43/29/569584329.db2.gz	DSVALLCUITURJW-UHFFFAOYSA-N	-1	2	448.504	4.489	50	0		IIAALM
O=C([O-])c1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2)c1	ZINC000002376361	555773686	/nfs/dbraw/zinc/77/36/86/555773686.db2.gz	FNXXASXJBSNEEE-UHFFFAOYSA-N	-1	2	438.440	4.012	50	0		IIAALM
CCCCN(C)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1C(=O)[O-]	ZINC000032962049	556580060	/nfs/dbraw/zinc/58/00/60/556580060.db2.gz	DGNAISBQIJHSQA-UHFFFAOYSA-N	-1	2	447.376	4.246	50	0		IIAALM
CCCCN(C)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccc(Br)s1	ZINC000032971098	556589137	/nfs/dbraw/zinc/58/91/37/556589137.db2.gz	OCFWPGVZQGXWOA-UHFFFAOYSA-N	-1	2	447.376	4.246	50	0		IIAALM
COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F	ZINC000095439173	569366641	/nfs/dbraw/zinc/36/66/41/569366641.db2.gz	PYHOCZLHHMNTPR-UHFFFAOYSA-N	-1	2	427.759	4.006	50	0		IIAALM