smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1=CC(=O)C(=C([O-])C=Cc2cc(Cl)c([O-])cc2Cl)C(=O)O1	ZINC000134356383	714411326	/nfs/dbraw/zinc/41/13/26/714411326.db2.gz	LGXHPHGYCASQOW-HSWBROFVSA-N	-2	1	341.146	2.927	10	30		EFEEML
Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c(C(=O)[O-])cc1C	ZINC000427287436	247335662	/nfs/dbraw/zinc/33/56/62/247335662.db2.gz	GFZXOCBMGCOKHV-UHFFFAOYSA-N	-2	1	348.355	2.813	10	30		EFEEML
Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2)c(C(=O)[O-])cc1C	ZINC000358490479	475719125	/nfs/dbraw/zinc/71/91/25/475719125.db2.gz	CLQNALSLRJJHHA-UHFFFAOYSA-N	-2	1	330.365	2.674	10	30		EFEEML
CSc1[n-]c(=O)c(C(=O)Nc2ccc(Cl)cc2[O-])cc1C#N	ZINC000153458284	293376628	/nfs/dbraw/zinc/37/66/28/293376628.db2.gz	TVDAPXIVBCTRCU-UHFFFAOYSA-N	-2	1	335.772	2.580	10	30		EFEEML
N#Cc1cccc(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])c1	ZINC000541001034	317765251	/nfs/dbraw/zinc/76/52/51/317765251.db2.gz	SMJAEBNGVFYNIY-UHFFFAOYSA-N	-2	1	344.392	2.766	10	30		EFEEML
N#CC1(CS(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)CCCCC1	ZINC000548198356	479124094	/nfs/dbraw/zinc/12/40/94/479124094.db2.gz	NDFLHCFMELSFEX-UHFFFAOYSA-N	-2	1	340.376	2.740	10	30		EFEEML
C=C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)sc1Cl	ZINC000654786571	482050818	/nfs/dbraw/zinc/05/08/18/482050818.db2.gz	LFSYWPOTATVVKS-LURJTMIESA-N	-2	1	344.241	2.753	10	30		EFEEML
CC1=CC(=O)C(=C([O-])C=Cc2cc(Cl)c([O-])cc2Cl)C(=O)O1	ZINC000759072811	575884079	/nfs/dbraw/zinc/88/40/79/575884079.db2.gz	LGXHPHGYCASQOW-SFAKSCPVSA-N	-2	1	341.146	2.927	10	30		EFEEML
Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1ccc(Br)cc1[O-]	ZINC001464142985	1396550013	/nfs/dbraw/zinc/55/00/13/1396550013.db2.gz	UMHYOBGIPXOSGO-UHFFFAOYSA-N	-2	1	348.156	2.688	10	30		EFEEML
C=C(Cl)C[C@H](NC(=O)c1cc(Cl)c([O-])c(OCC)c1)C(=O)[O-]	ZINC000910269596	727425513	/nfs/dbraw/zinc/42/55/13/727425513.db2.gz	KUFQUHACEQNVJL-JTQLQIEISA-N	-2	1	348.182	2.770	10	30		EFEEML
C=C(C)C[C@H](NC(=O)c1cc(Cl)c([O-])c(OCC)c1)C(=O)[O-]	ZINC000910291125	727430697	/nfs/dbraw/zinc/43/06/97/727430697.db2.gz	DNZOPQGVEUJITH-NSHDSACASA-N	-2	1	327.764	2.594	10	30		EFEEML
Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C#N)cc2C)cc1F	ZINC000548591796	318121423	/nfs/dbraw/zinc/12/14/23/318121423.db2.gz	OOUWAUMCPSXHFQ-UHFFFAOYSA-N	-2	1	348.355	2.813	10	30		EFEEML
N#Cc1ccc(Cl)c(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1	ZINC000187032680	473805070	/nfs/dbraw/zinc/80/50/70/473805070.db2.gz	FHZVMPGZRJKCPW-UHFFFAOYSA-N	-2	1	326.736	2.857	10	30		EFEEML
CSc1[n-]c(=O)c(C(=O)Nc2c([O-])cccc2Cl)cc1C#N	ZINC001298550502	1323565280	/nfs/dbraw/zinc/56/52/80/1323565280.db2.gz	KBECDCTXYKOOFL-UHFFFAOYSA-N	-2	1	335.772	2.992	10	30		EFEEML
Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1ccc(Br)c([O-])c1	ZINC001362581347	1336662641	/nfs/dbraw/zinc/66/26/41/1336662641.db2.gz	PKFRBWVDNFSIQY-UHFFFAOYSA-N	-2	1	348.156	2.688	10	30		EFEEML
CSc1[n-]c(=O)c(C(=O)Nc2ccc([O-])c(Cl)c2)cc1C#N	ZINC000357375845	147508078	/nfs/dbraw/zinc/50/80/78/147508078.db2.gz	OEUCTYWSVUKLRW-UHFFFAOYSA-N	-2	1	335.772	2.992	10	30		EFEEML
Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000583077559	478758594	/nfs/dbraw/zinc/75/85/94/478758594.db2.gz	NPVZDSFZACKBAI-UHFFFAOYSA-N	-2	1	348.355	2.813	10	30		EFEEML
N#Cc1c(C2CC2)[n-][nH]c1=NC(=O)c1cc([O-])cc(C(F)(F)F)c1	ZINC000598735547	478997147	/nfs/dbraw/zinc/99/71/47/478997147.db2.gz	STKOXGWNZXEOSP-UHFFFAOYSA-N	-2	1	336.273	2.557	10	30		EFEEML
N#Cc1ccc(O)c(NC(=O)c2cnc3cc(F)c(F)cc3c2O)c1	ZINC001152999943	1297370365	/nfs/dbraw/zinc/37/03/65/1297370365.db2.gz	LMTPKEXTHPRFLU-UHFFFAOYSA-N	-2	1	341.273	2.636	10	30		EFEEML
Cc1cc(C#N)c(=O)[n-]c1C(=O)Nc1cc(Br)ccc1[O-]	ZINC001610910020	1098961965	/nfs/dbraw/zinc/96/19/65/1098961965.db2.gz	AIBCVORGJJWKGH-UHFFFAOYSA-N	-2	1	348.156	2.688	10	30		EFEEML
C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000617040881	480077541	/nfs/dbraw/zinc/07/75/41/480077541.db2.gz	ZUJLNDPPZVGSMY-VXGBXAGGSA-N	-2	1	342.399	2.609	10	30		EFEEML
C=C(Cl)C[C@@H](NC(=O)c1cc(Cl)c([O-])c(OCC)c1)C(=O)[O-]	ZINC000910269597	727425572	/nfs/dbraw/zinc/42/55/72/727425572.db2.gz	KUFQUHACEQNVJL-SNVBAGLBSA-N	-2	1	348.182	2.770	10	30		EFEEML
Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(F)c(C#N)c1	ZINC000320612990	311237984	/nfs/dbraw/zinc/23/79/84/311237984.db2.gz	AVETXSQGCBNGMW-UHFFFAOYSA-N	-2	1	334.328	2.505	10	30		EFEEML
Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cccc(C#N)c2)cc1F	ZINC000548590733	318121379	/nfs/dbraw/zinc/12/13/79/318121379.db2.gz	WHKOGJGORCBNEI-UHFFFAOYSA-N	-2	1	334.328	2.505	10	30		EFEEML
C=C(C)CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(F)(F)F	ZINC000290565764	474577438	/nfs/dbraw/zinc/57/74/38/474577438.db2.gz	SNGBBQUJQRPJBB-UHFFFAOYSA-N	-2	1	339.291	2.601	10	30		EFEEML
Cc1cc([O-])cc2c1C(=O)C(=N[N-]c1ccc(Br)cn1)O2	ZINC000727263058	723881094	/nfs/dbraw/zinc/88/10/94/723881094.db2.gz	KWFYYBADGGSDLW-UHFFFAOYSA-N	-2	1	348.156	2.859	10	30		EFEEML
C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000617040880	480077932	/nfs/dbraw/zinc/07/79/32/480077932.db2.gz	ZUJLNDPPZVGSMY-RYUDHWBXSA-N	-2	1	342.399	2.609	10	30		EFEEML
N#Cc1cc([O-])cc(C(=O)N=c2nc(-c3ccsc3)[n-]s2)c1	ZINC000589180297	479492020	/nfs/dbraw/zinc/49/20/20/479492020.db2.gz	YBBHYBBRKJAYHI-UHFFFAOYSA-N	-2	1	328.378	2.518	10	30		EFEEML
Cc1cc([N-]S(=O)(=O)c2ccccc2CC#N)c(C(=O)[O-])cc1C	ZINC000358503549	242123441	/nfs/dbraw/zinc/12/34/41/242123441.db2.gz	PEUKKQDZFIKVAE-UHFFFAOYSA-N	-2	1	344.392	2.869	10	30		EFEEML
Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cc(C#N)ccc2C)cc1F	ZINC000547938178	318053921	/nfs/dbraw/zinc/05/39/21/318053921.db2.gz	XYOFMNIOSOBSIV-UHFFFAOYSA-N	-2	1	348.355	2.813	10	30		EFEEML
C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000617040879	480077882	/nfs/dbraw/zinc/07/78/82/480077882.db2.gz	ZUJLNDPPZVGSMY-NWDGAFQWSA-N	-2	1	342.399	2.609	10	30		EFEEML
N#Cc1ccc(S(=O)(=O)[N-]c2ccccc2CCCC(=O)[O-])cc1	ZINC000541931086	478615967	/nfs/dbraw/zinc/61/59/67/478615967.db2.gz	OUPFWWKIOKILLB-UHFFFAOYSA-N	-2	1	344.392	2.766	10	30		EFEEML
CC1=CC(=O)C(=C([O-])C=Cc2cc(Cl)c([O-])cc2Cl)C(=O)O1	ZINC000759072809	575884059	/nfs/dbraw/zinc/88/40/59/575884059.db2.gz	LGXHPHGYCASQOW-PYLYLYNFSA-N	-2	1	341.146	2.927	10	30		EFEEML
N#CC1(CS(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])CCCCC1	ZINC000547866523	479121185	/nfs/dbraw/zinc/12/11/85/479121185.db2.gz	VFCPJIPQHWSDHL-UHFFFAOYSA-N	-2	1	340.376	2.740	10	30		EFEEML
N#Cc1ccc([O-])c(NC(=O)c2cc([O-])cc(Br)c2)c1	ZINC001598128722	1094658288	/nfs/dbraw/zinc/65/82/88/1094658288.db2.gz	XUOJFGCHYOHVRC-UHFFFAOYSA-N	-2	1	333.141	2.984	10	30		EFEEML
Cc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)c(C(=O)[O-])cc1C	ZINC000358491112	147820148	/nfs/dbraw/zinc/82/01/48/147820148.db2.gz	FRAZANQDVCMPFZ-UHFFFAOYSA-N	-2	1	330.365	2.674	10	30		EFEEML
Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C#N)cc2)cc1F	ZINC000548588138	318120837	/nfs/dbraw/zinc/12/08/37/318120837.db2.gz	IACWXAMQTBGNNQ-UHFFFAOYSA-N	-2	1	334.328	2.505	10	30		EFEEML
CC1=CC(=O)C(=C([O-])C=Cc2cc(Cl)c([O-])cc2Cl)C(=O)O1	ZINC000134356402	714409877	/nfs/dbraw/zinc/40/98/77/714409877.db2.gz	LGXHPHGYCASQOW-BAABZTOOSA-N	-2	1	341.146	2.927	10	30		EFEEML
Cc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)c(C(=O)[O-])cc1C	ZINC000619464078	479801121	/nfs/dbraw/zinc/80/11/21/479801121.db2.gz	ULBFOERGZXCRIC-UHFFFAOYSA-N	-2	1	344.392	2.869	10	30		EFEEML
C=C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)sc1Cl	ZINC000654786572	482050698	/nfs/dbraw/zinc/05/06/98/482050698.db2.gz	LFSYWPOTATVVKS-ZCFIWIBFSA-N	-2	1	344.241	2.753	10	30		EFEEML
Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1	ZINC000556671159	318397548	/nfs/dbraw/zinc/39/75/48/318397548.db2.gz	HNMCTNQKAVJHJO-UHFFFAOYSA-N	-2	1	334.328	2.505	10	30		EFEEML
C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1	ZINC000617040878	480078174	/nfs/dbraw/zinc/07/81/74/480078174.db2.gz	ZUJLNDPPZVGSMY-NEPJUHHUSA-N	-2	1	342.399	2.609	10	30		EFEEML
C=C(C)C[C@@H](NC(=O)c1cc(Cl)c([O-])c(OCC)c1)C(=O)[O-]	ZINC000910291124	727430781	/nfs/dbraw/zinc/43/07/81/727430781.db2.gz	DNZOPQGVEUJITH-LLVKDONJSA-N	-2	1	327.764	2.594	10	30		EFEEML
Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)ccc1C#N	ZINC000578110949	320173183	/nfs/dbraw/zinc/17/31/83/320173183.db2.gz	PMOOKLXQMAZDBQ-UHFFFAOYSA-N	-2	1	344.392	2.983	10	30		EFEEML
Cc1ncc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cc1C#N	ZINC000793443025	1279651243	/nfs/dbraw/zinc/65/12/43/1279651243.db2.gz	KSYAHSSAJHXICF-UHFFFAOYSA-N	-2	1	341.751	2.561	10	30		EFEEML
Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1F	ZINC000619470622	479804742	/nfs/dbraw/zinc/80/47/42/479804742.db2.gz	WECIMPLEOMWILZ-UHFFFAOYSA-N	-2	1	348.355	2.699	10	30		EFEEML
Cc1cc([O-])cc2c1C(=O)C(=N[N-]c1c(F)c(F)nc(F)c1F)O2	ZINC000915948507	727641981	/nfs/dbraw/zinc/64/19/81/727641981.db2.gz	OIASTJWBTJDUQY-UHFFFAOYSA-N	-2	1	341.220	2.653	10	30		EFEEML