smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(NS(=O)(=O)c2ccc(Cl)nc2Cl)c(C(=O)[O-])c1	ZINC000058391927	205274161	/nfs/dbraw/zinc/27/41/61/205274161.db2.gz	GJZTUURKYRVLAY-UHFFFAOYSA-N	-1	2	361.206	3.196	50	0		FGAALM
CC[C@H](C)n1c(=O)c([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(O)[nH]c1=S	ZINC000020411823	206330400	/nfs/dbraw/zinc/33/04/00/206330400.db2.gz	GWYFWTXDOYLZPF-MGPLVRAMSA-N	-1	2	370.478	3.299	50	0		FGAALM
CC[C@H](C)n1c(O)c([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(=O)[nH]c1=S	ZINC000020411823	206330402	/nfs/dbraw/zinc/33/04/02/206330402.db2.gz	GWYFWTXDOYLZPF-MGPLVRAMSA-N	-1	2	370.478	3.299	50	0		FGAALM
O=C1c2ccccc2C(=O)c2c(O[P@](=O)([O-])O)ccc3cccc1c32	ZINC000006243348	493956733	/nfs/dbraw/zinc/95/67/33/493956733.db2.gz	SBJYRGDYUBGPSV-UHFFFAOYSA-N	-1	2	354.254	3.087	50	0		FGAALM
O=C1c2ccccc2C(=O)c2c(O[P@@](=O)([O-])O)ccc3cccc1c32	ZINC000006243348	493956737	/nfs/dbraw/zinc/95/67/37/493956737.db2.gz	SBJYRGDYUBGPSV-UHFFFAOYSA-N	-1	2	354.254	3.087	50	0		FGAALM
CCN(CC)c1ccc(NS(=O)(=O)c2cccs2)cc1C(=O)[O-]	ZINC000032962202	494032606	/nfs/dbraw/zinc/03/26/06/494032606.db2.gz	ZKPHPLYIGPECTQ-UHFFFAOYSA-N	-1	2	354.453	3.093	50	0		FGAALM
Cn1ncc2c1[nH]cc(C(=O)N1CCC[C@@H]1c1ccccc1Cl)c2=O	ZINC000179441255	705701721	/nfs/dbraw/zinc/70/17/21/705701721.db2.gz	RAHRARFOUNKJNS-OAHLLOKOSA-N	-1	2	356.813	3.305	50	0		FGAALM
Cc1cc2nc(C[N@@H+]3CCC[C@@H](CCc4ccccc4F)C3)cc(=O)n2[nH]1	ZINC000102468874	495137795	/nfs/dbraw/zinc/13/77/95/495137795.db2.gz	PCMKYHKWVLTGFV-INIZCTEOSA-N	-1	2	368.456	3.315	50	0		FGAALM
O=C([O-])c1cccc(S(=O)(=O)Nc2nc3ccc(Cl)cc3s2)c1	ZINC000028248351	493781785	/nfs/dbraw/zinc/78/17/85/493781785.db2.gz	BWUANBQONLBIMT-UHFFFAOYSA-N	-1	2	368.823	3.449	50	0		FGAALM
CCc1nc(C)c(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)s1	ZINC000489024404	502863762	/nfs/dbraw/zinc/86/37/62/502863762.db2.gz	SHXDRGXRNRLSGT-UHFFFAOYSA-N	-1	2	354.453	3.130	50	0		FGAALM
COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])oc1C	ZINC000170617147	206131750	/nfs/dbraw/zinc/13/17/50/206131750.db2.gz	IKXKBSAFUORWBN-UHFFFAOYSA-N	-1	2	359.787	3.057	50	0		FGAALM
Cc1ccc(S(=O)(=O)Nc2ccc(OC(F)F)c(C(=O)[O-])c2)s1	ZINC000072273513	494147558	/nfs/dbraw/zinc/14/75/58/494147558.db2.gz	IDXUFKABOLIUBC-UHFFFAOYSA-N	-1	2	363.363	3.157	50	0		FGAALM
O=C([O-])c1cccc(S(=O)(=O)Nc2cccnc2Oc2ccccc2)c1	ZINC000047211869	570882745	/nfs/dbraw/zinc/88/27/45/570882745.db2.gz	SCVJZAGRYZVPOF-UHFFFAOYSA-N	-1	2	370.386	3.373	50	0		FGAALM
O=C([O-])c1csc(S(=O)(=O)Nc2ccc(Br)cc2)c1	ZINC000012508087	204470134	/nfs/dbraw/zinc/47/01/34/204470134.db2.gz	RVXUCPIILYUIGH-UHFFFAOYSA-N	-1	2	362.226	3.010	50	0		FGAALM
C[C@@H](Cc1ccc(NS(=O)(=O)c2cnc(C3CC3)s2)cc1)C(=O)[O-]	ZINC000585098041	571320448	/nfs/dbraw/zinc/32/04/48/571320448.db2.gz	IHXMNGHIEJKLQA-JTQLQIEISA-N	-1	2	366.464	3.085	50	0		FGAALM
O=C(Oc1ccccc1[P@](=O)([O-])O)c1ccc(-c2ccccc2)cc1	ZINC000009341887	204364106	/nfs/dbraw/zinc/36/41/06/204364106.db2.gz	SLZROQJOMBNPNI-UHFFFAOYSA-N	-1	2	354.298	3.376	50	0		FGAALM
O=C(Oc1ccccc1[P@@](=O)([O-])O)c1ccc(-c2ccccc2)cc1	ZINC000009341887	204364110	/nfs/dbraw/zinc/36/41/10/204364110.db2.gz	SLZROQJOMBNPNI-UHFFFAOYSA-N	-1	2	354.298	3.376	50	0		FGAALM
Cc1cc(S(=O)(=O)Nc2ccccc2OC(C)C)sc1C(=O)[O-]	ZINC000042791593	206007044	/nfs/dbraw/zinc/00/70/44/206007044.db2.gz	JQFSALXOMYLRPZ-UHFFFAOYSA-N	-1	2	355.437	3.343	50	0		FGAALM
COc1ccc(O)c(C(=O)NCc2ccc[nH+]c2N2CCCCCCC2)c1	ZINC000067872317	494674482	/nfs/dbraw/zinc/67/44/82/494674482.db2.gz	UOYMLGHDFMEREZ-UHFFFAOYSA-N	-1	2	369.465	3.496	50	0		FGAALM
O=C([O-])c1c[nH]c2cc(NS(=O)(=O)c3ccc(Cl)cc3F)ccc21	ZINC000078789745	494361365	/nfs/dbraw/zinc/36/13/65/494361365.db2.gz	YCOFHFVBRQISNI-UHFFFAOYSA-N	-1	2	368.773	3.459	50	0		FGAALM
CCc1onc(C)c1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C	ZINC000270635415	497167798	/nfs/dbraw/zinc/16/77/98/497167798.db2.gz	NFLJXFFWFSJTEW-UHFFFAOYSA-N	-1	2	358.803	3.006	50	0		FGAALM
CCOc1cc(F)ccc1NS(=O)(=O)c1cc(C)c(C(=O)[O-])s1	ZINC000042795660	209265566	/nfs/dbraw/zinc/26/55/66/209265566.db2.gz	JHKNGTYJGTZVIB-UHFFFAOYSA-N	-1	2	359.400	3.093	50	0		FGAALM
O=C([O-])c1c(Br)cc(Br)c(O)c1Br	ZINC000000820480	493774901	/nfs/dbraw/zinc/77/49/01/493774901.db2.gz	YDBHVMTTYXWHLI-UHFFFAOYSA-N	-1	2	374.810	3.378	50	0		FGAALM
O=C([O-])c1ccc(NS(=O)(=O)c2cc(F)c(F)cc2F)cc1Cl	ZINC000078758255	494356518	/nfs/dbraw/zinc/35/65/18/494356518.db2.gz	FBOCMTXFBWJGGL-UHFFFAOYSA-N	-1	2	365.716	3.256	50	0		FGAALM
Cc1cc(S(=O)(=O)Nc2cccc3c2ccn3C)sc1C(=O)[O-]	ZINC000170620414	495537327	/nfs/dbraw/zinc/53/73/27/495537327.db2.gz	IJYNUHDQOUTIRJ-UHFFFAOYSA-N	-1	2	350.421	3.047	50	0		FGAALM
O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cccc(Br)c2)c1	ZINC000004842214	493895191	/nfs/dbraw/zinc/89/51/91/493895191.db2.gz	JWYOTIGFQSZHTO-UHFFFAOYSA-N	-1	2	374.187	3.087	50	0		FGAALM
O=C([O-])c1ccc2nc(NS(=O)(=O)c3ccc(Cl)cc3)sc2c1	ZINC000009420542	494123785	/nfs/dbraw/zinc/12/37/85/494123785.db2.gz	VKANJHRRLLLPPY-UHFFFAOYSA-N	-1	2	368.823	3.449	50	0		FGAALM
Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc(C(=O)[O-])c(Cl)c1	ZINC000078813668	494366314	/nfs/dbraw/zinc/36/63/14/494366314.db2.gz	LNTHYDRBPWDEBZ-UHFFFAOYSA-N	-1	2	371.846	3.233	50	0		FGAALM
Cc1ccc(S(=O)(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)cc1	ZINC000000754474	210267328	/nfs/dbraw/zinc/26/73/28/210267328.db2.gz	MBRCSVRYNYLVPJ-UHFFFAOYSA-N	-1	2	351.449	3.434	50	0		FGAALM
Cc1cc(S(=O)(=O)Nc2ccccc2OC(F)F)sc1C(=O)[O-]	ZINC000058377033	221116797	/nfs/dbraw/zinc/11/67/97/221116797.db2.gz	IHFSYAVMWDSNFE-UHFFFAOYSA-N	-1	2	363.363	3.157	50	0		FGAALM
Cc1cc(S(=O)(=O)Nc2cccc(OC(F)F)c2)sc1C(=O)[O-]	ZINC000042793420	494245067	/nfs/dbraw/zinc/24/50/67/494245067.db2.gz	CXPPOLTYTHKTLC-UHFFFAOYSA-N	-1	2	363.363	3.157	50	0		FGAALM
CCOc1cc(C)ccc1NS(=O)(=O)c1cc(C)c(C(=O)[O-])s1	ZINC000095352931	494961787	/nfs/dbraw/zinc/96/17/87/494961787.db2.gz	SRGOEYIKCDUHDE-UHFFFAOYSA-N	-1	2	355.437	3.263	50	0		FGAALM
CC(C)Cn1ncc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1C(C)C	ZINC000499262080	503368832	/nfs/dbraw/zinc/36/88/32/503368832.db2.gz	GDTSLDKVTUKOPX-UHFFFAOYSA-N	-1	2	365.455	3.162	50	0		FGAALM
COc1c(Cl)cccc1NS(=O)(=O)c1cc(C)c(C(=O)[O-])s1	ZINC000057123376	494646960	/nfs/dbraw/zinc/64/69/60/494646960.db2.gz	MGBGPPIFTWZECI-UHFFFAOYSA-N	-1	2	361.828	3.218	50	0		FGAALM
Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)nn1[C@H](C)C1CC1	ZINC000544094920	504004956	/nfs/dbraw/zinc/00/49/56/504004956.db2.gz	FYUACMMGGWCFAV-SECBINFHSA-N	-1	2	369.468	3.031	50	0		FGAALM
Cc1cc(NS(=O)(=O)c2cccs2)ccc1-n1cccc1C(=O)[O-]	ZINC000089591396	221741362	/nfs/dbraw/zinc/74/13/62/221741362.db2.gz	ZWGCKEJZDUNCTG-UHFFFAOYSA-N	-1	2	362.432	3.346	50	0		FGAALM
CCC[C@H](C)c1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)[nH]n1	ZINC000079106636	494404723	/nfs/dbraw/zinc/40/47/23/494404723.db2.gz	NKCNPDVYCGGSEX-JTQLQIEISA-N	-1	2	351.428	3.121	50	0		FGAALM
CCc1onc(C)c1NS(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1	ZINC000281149814	498035405	/nfs/dbraw/zinc/03/54/05/498035405.db2.gz	OKAJMTVCVHWPAI-UHFFFAOYSA-N	-1	2	358.803	3.006	50	0		FGAALM
CCOc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1F	ZINC000055678386	221073458	/nfs/dbraw/zinc/07/34/58/221073458.db2.gz	JFCAYBCKBAKJPP-UHFFFAOYSA-N	-1	2	359.400	3.093	50	0		FGAALM
Cc1ccc(Cl)cc1N1C(=O)[C@@H]2ON=C(c3ccc(F)cc3)C2=C1O	ZINC000101360927	222271838	/nfs/dbraw/zinc/27/18/38/222271838.db2.gz	KGBVNSDQYJXRPC-GOEBONIOSA-N	-1	2	358.756	3.080	50	0		FGAALM
Cc1ccc(Cl)cc1N1C(=O)[C@@H]2ON=C(c3ccc(F)cc3)C2=C1O	ZINC000101360929	222271670	/nfs/dbraw/zinc/27/16/70/222271670.db2.gz	KGBVNSDQYJXRPC-GDBMZVCRSA-N	-1	2	358.756	3.080	50	0		FGAALM
O=C([O-])c1cc(-c2c(O)c(F)c(F)c(F)c2F)n(-c2ccccc2)n1	ZINC000110088271	700538266	/nfs/dbraw/zinc/53/82/66/700538266.db2.gz	NPQPAGKQYGXBFL-UHFFFAOYSA-N	-1	2	352.243	3.500	50	0		FGAALM
Cc1cc(S(=O)(=O)Nc2cccc(-n3cccc3)c2)sc1C(=O)[O-]	ZINC000058244540	221109910	/nfs/dbraw/zinc/10/99/10/221109910.db2.gz	UUHOGFPMJRMPPE-UHFFFAOYSA-N	-1	2	362.432	3.346	50	0		FGAALM
O=C([O-])c1ccccc1NS(=O)(=O)c1ccc(Br)s1	ZINC000003884732	493858917	/nfs/dbraw/zinc/85/89/17/493858917.db2.gz	MDMGOJKOFGQUEI-UHFFFAOYSA-N	-1	2	362.226	3.010	50	0		FGAALM
CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(C(=O)[O-])c(O)c1	ZINC000000996551	219351772	/nfs/dbraw/zinc/35/17/72/219351772.db2.gz	SVDJWXUQXPMMSX-DHDCSXOGSA-N	-1	2	371.780	3.462	50	0		FGAALM
O=C([O-])c1csc(S(=O)(=O)Nc2cccc(Br)c2)c1	ZINC000015243138	220150326	/nfs/dbraw/zinc/15/03/26/220150326.db2.gz	HKIXZLOFRARJRM-UHFFFAOYSA-N	-1	2	362.226	3.010	50	0		FGAALM
Cn1c2ccccc2nc1-c1c(CCC(=O)[O-])oc2cc(O)ccc2c1=O	ZINC000019855622	220301679	/nfs/dbraw/zinc/30/16/79/220301679.db2.gz	NJUBWIKJWITJDB-UHFFFAOYSA-N	-1	2	364.357	3.070	50	0		FGAALM
Cc1cc(OC(C)C)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000071808760	221378437	/nfs/dbraw/zinc/37/84/37/221378437.db2.gz	FVLJUBKKSDMXJP-UHFFFAOYSA-N	-1	2	355.437	3.343	50	0		FGAALM
O=C([O-])c1c[nH]c2cc(NS(=O)(=O)c3cccc(Cl)c3F)ccc21	ZINC000078806069	494364508	/nfs/dbraw/zinc/36/45/08/494364508.db2.gz	AERDZVXAOHGXTG-UHFFFAOYSA-N	-1	2	368.773	3.459	50	0		FGAALM
COc1cc2[n-]c(O)c(C(=O)Nc3cccc(C)c3C)c(=O)c2cc1OC	ZINC000017888486	494419520	/nfs/dbraw/zinc/41/95/20/494419520.db2.gz	HJOYUYQAFSICSA-UHFFFAOYSA-N	-1	2	368.389	3.120	50	0		FGAALM
O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccc(Br)cc2)c1	ZINC000004641411	204151325	/nfs/dbraw/zinc/15/13/25/204151325.db2.gz	PUVWWKUNAMLWNF-UHFFFAOYSA-N	-1	2	374.187	3.087	50	0		FGAALM
COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])cs1	ZINC000070039773	494039150	/nfs/dbraw/zinc/03/91/50/494039150.db2.gz	PEBUCXGSAKHGCR-UHFFFAOYSA-N	-1	2	361.828	3.218	50	0		FGAALM
CCn1nc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)c1C	ZINC000076041291	493812664	/nfs/dbraw/zinc/81/26/64/493812664.db2.gz	IZGBMRPQRGAXSB-UHFFFAOYSA-N	-1	2	365.455	3.142	50	0		FGAALM
CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2cc(F)c(F)cc2F)cc1	ZINC000078938710	494381223	/nfs/dbraw/zinc/38/12/23/494381223.db2.gz	BSVCJIVXGWAFFW-UHFFFAOYSA-N	-1	2	373.352	3.267	50	0		FGAALM
Cc1noc(C)c1NS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1	ZINC000078720158	494348785	/nfs/dbraw/zinc/34/87/85/494348785.db2.gz	HHQFLZYOHBZWLU-UHFFFAOYSA-N	-1	2	365.194	3.097	50	0		FGAALM
[O-]c1c(Br)c(O)c(Br)c(O)c1Br	ZINC000001657279	695536091	/nfs/dbraw/zinc/53/60/91/695536091.db2.gz	FVXWNUUQRAHIRN-UHFFFAOYSA-N	-1	2	362.799	3.091	50	0		FGAALM
CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cc(C)ccc1F	ZINC000042986648	205099285	/nfs/dbraw/zinc/09/92/85/205099285.db2.gz	MTIVCKGJIBFACH-UHFFFAOYSA-N	-1	2	355.412	3.355	50	0		FGAALM
CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2c(F)cc(F)cc2F)cc1	ZINC000084370342	205122631	/nfs/dbraw/zinc/12/26/31/205122631.db2.gz	YYTPBXYTLKPGMI-UHFFFAOYSA-N	-1	2	373.352	3.267	50	0		FGAALM
Cc1cc(S(=O)(=O)Nc2cccc3c2CCCC3)sc1C(=O)[O-]	ZINC000058190823	493831032	/nfs/dbraw/zinc/83/10/32/493831032.db2.gz	RSQKUMSEOHZOQL-UHFFFAOYSA-N	-1	2	351.449	3.434	50	0		FGAALM
CCOc1cc2[nH]c(=S)n(CCCCC(=O)[O-])c(=O)c2cc1OCC	ZINC000003010382	204072911	/nfs/dbraw/zinc/07/29/11/204072911.db2.gz	SZRUEGTXDRCOTD-UHFFFAOYSA-N	-1	2	366.439	3.111	50	0		FGAALM
COc1cc2[n-]c(O)c(C(=O)Nc3ccc(C)cc3C)c(=O)c2cc1OC	ZINC000008995479	204351141	/nfs/dbraw/zinc/35/11/41/204351141.db2.gz	RTDLJDUIRSOKPJ-UHFFFAOYSA-N	-1	2	368.389	3.120	50	0		FGAALM
Cc1cccnc1NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl	ZINC000003351004	206232288	/nfs/dbraw/zinc/23/22/88/206232288.db2.gz	UQHVPCYYVLRDNM-UHFFFAOYSA-N	-1	2	361.206	3.196	50	0		FGAALM
COc1ccc(Cl)cc1NS(=O)(=O)c1cc(C)c(C(=O)[O-])s1	ZINC000045774714	206079109	/nfs/dbraw/zinc/07/91/09/206079109.db2.gz	GKROIPLVPHHXPF-UHFFFAOYSA-N	-1	2	361.828	3.218	50	0		FGAALM
O=C([O-])c1cc(NS(=O)(=O)c2cccs2)cc(C(F)(F)F)c1	ZINC000052471851	206220283	/nfs/dbraw/zinc/22/02/83/206220283.db2.gz	WFKAXSNXDWYVIZ-UHFFFAOYSA-N	-1	2	351.327	3.266	50	0		FGAALM
Cc1cc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)sc1C(=O)[O-]	ZINC000058190836	493831264	/nfs/dbraw/zinc/83/12/64/493831264.db2.gz	WRURNBIKKSZZEG-UHFFFAOYSA-N	-1	2	363.363	3.157	50	0		FGAALM
Cc1cc(S(=O)(=O)Nc2ccc(OC(C)C)cc2)sc1C(=O)[O-]	ZINC000045946663	206079221	/nfs/dbraw/zinc/07/92/21/206079221.db2.gz	MAOFNVWSQPKQNP-UHFFFAOYSA-N	-1	2	355.437	3.343	50	0		FGAALM
CC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000013341414	494285455	/nfs/dbraw/zinc/28/54/55/494285455.db2.gz	XBQAWXVASCRYHP-UHFFFAOYSA-N	-1	2	353.783	3.042	50	0		FGAALM
CCCCN(C)c1ccc(NS(=O)(=O)c2cccs2)cc1C(=O)[O-]	ZINC000032962048	208061150	/nfs/dbraw/zinc/06/11/50/208061150.db2.gz	FZHTXSZJTOFSSC-UHFFFAOYSA-N	-1	2	368.480	3.483	50	0		FGAALM
COc1cc2[n-]c(O)c(C(=O)Nc3cc(C)ccc3C)c(=O)c2cc1OC	ZINC000017838270	494417580	/nfs/dbraw/zinc/41/75/80/494417580.db2.gz	LEAQINWRSSDZHZ-UHFFFAOYSA-N	-1	2	368.389	3.120	50	0		FGAALM
Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)nn1[C@@H](C)C1CC1	ZINC000544094921	504004625	/nfs/dbraw/zinc/00/46/25/504004625.db2.gz	FYUACMMGGWCFAV-VIFPVBQESA-N	-1	2	369.468	3.031	50	0		FGAALM
O=C([O-])c1csc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1	ZINC000015243210	494343507	/nfs/dbraw/zinc/34/35/07/494343507.db2.gz	PXDPAXHPWAJIEO-UHFFFAOYSA-N	-1	2	351.327	3.266	50	0		FGAALM
Cc1noc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl	ZINC000066813824	494414147	/nfs/dbraw/zinc/41/41/47/494414147.db2.gz	ZLNJLJDVZONSIE-UHFFFAOYSA-N	-1	2	365.194	3.097	50	0		FGAALM
Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2N(C)C)sc1C(=O)[O-]	ZINC000042791738	209266359	/nfs/dbraw/zinc/26/63/59/209266359.db2.gz	GJNCGFMWXKQKNQ-UHFFFAOYSA-N	-1	2	374.871	3.275	50	0		FGAALM
Cc1c(Cl)cccc1N1C(=O)[C@@H]2ON=C(c3ccc(F)cc3)C2=C1O	ZINC000101359229	222271423	/nfs/dbraw/zinc/27/14/23/222271423.db2.gz	HWWVPAFPSXDTOJ-GDBMZVCRSA-N	-1	2	358.756	3.080	50	0		FGAALM
CC(C)Cn1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)cn1	ZINC000076082323	493817885	/nfs/dbraw/zinc/81/78/85/493817885.db2.gz	AVVDXHGWAZGNDW-UHFFFAOYSA-N	-1	2	365.455	3.162	50	0		FGAALM
CCN(CC)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccs1	ZINC000032971205	494033208	/nfs/dbraw/zinc/03/32/08/494033208.db2.gz	WERNPKPROLHSBR-UHFFFAOYSA-N	-1	2	354.453	3.093	50	0		FGAALM
O=C([O-])c1cccc(NS(=O)(=O)c2ccc(Br)s2)c1	ZINC000024045106	494598511	/nfs/dbraw/zinc/59/85/11/494598511.db2.gz	DZYHWHZXHYKQMJ-UHFFFAOYSA-N	-1	2	362.226	3.010	50	0		FGAALM
CC(C)(C)NC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1	ZINC000023200223	211380447	/nfs/dbraw/zinc/38/04/47/211380447.db2.gz	IZCSOVBWCGMIND-UHFFFAOYSA-N	-1	2	368.405	3.294	50	0		FGAALM
O=C([O-])c1csc(S(=O)(=O)Nc2ccc(F)c(C(F)(F)F)c2)c1	ZINC000058368548	221116078	/nfs/dbraw/zinc/11/60/78/221116078.db2.gz	VBZJCKKCCPGDFB-UHFFFAOYSA-N	-1	2	369.317	3.405	50	0		FGAALM
O=C([O-])c1csc(S(=O)(=O)Nc2ccccc2N2CCCCC2)c1	ZINC000070825798	136138492	/nfs/dbraw/zinc/13/84/92/136138492.db2.gz	LXFUVONEALVYNZ-UHFFFAOYSA-N	-1	2	366.464	3.237	50	0		FGAALM
CCc1cc2c(cc1O)oc(C(=O)[O-])c(-c1ccc3c(c1)OCCO3)c2=O	ZINC000011865791	494194600	/nfs/dbraw/zinc/19/46/00/494194600.db2.gz	ARMDEJAJCWGZTE-UHFFFAOYSA-N	-1	2	368.341	3.197	50	0		FGAALM
Cc1cc2nc(C[N@@H+]3CCC[C@H](CCc4ccccc4F)C3)cc(=O)n2[nH]1	ZINC000102468871	495137784	/nfs/dbraw/zinc/13/77/84/495137784.db2.gz	PCMKYHKWVLTGFV-MRXNPFEDSA-N	-1	2	368.456	3.315	50	0		FGAALM
O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1	ZINC000003192444	493832457	/nfs/dbraw/zinc/83/24/57/493832457.db2.gz	SBIPZVAOGNIHPK-UHFFFAOYSA-N	-1	2	362.226	3.010	50	0		FGAALM
O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)c(F)c2F)ccc1Cl	ZINC000047318119	494679434	/nfs/dbraw/zinc/67/94/34/494679434.db2.gz	RJTQJDNSUDUWGF-UHFFFAOYSA-N	-1	2	365.716	3.256	50	0		FGAALM
O=C([O-])c1[nH]c2ccccc2c1NS(=O)(=O)c1ccc(Cl)s1	ZINC000002330440	210391613	/nfs/dbraw/zinc/39/16/13/210391613.db2.gz	VSNWPOFAUWDLFG-UHFFFAOYSA-N	-1	2	356.812	3.382	50	0		FGAALM
O=C([O-])Cc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1	ZINC000003327981	493838746	/nfs/dbraw/zinc/83/87/46/493838746.db2.gz	BNGNFYNUGMICCS-UHFFFAOYSA-N	-1	2	360.218	3.421	50	0		FGAALM
O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1	ZINC000004843234	493894958	/nfs/dbraw/zinc/89/49/58/493894958.db2.gz	BSEDCXRMUYOWKP-UHFFFAOYSA-N	-1	2	363.288	3.344	50	0		FGAALM
COc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1Cl	ZINC000045774675	494459939	/nfs/dbraw/zinc/45/99/39/494459939.db2.gz	QNKMXOXQSQUNGL-UHFFFAOYSA-N	-1	2	361.828	3.218	50	0		FGAALM
CCOc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000089272446	212030036	/nfs/dbraw/zinc/03/00/36/212030036.db2.gz	XYQWHJIZMJMRCB-UHFFFAOYSA-N	-1	2	355.799	3.238	50	0		FGAALM
CCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1Cl	ZINC000071808758	221378697	/nfs/dbraw/zinc/37/86/97/221378697.db2.gz	UMCNXSNXQSDMAS-UHFFFAOYSA-N	-1	2	361.828	3.299	50	0		FGAALM
CCCCN(C)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccs1	ZINC000032971097	494033377	/nfs/dbraw/zinc/03/33/77/494033377.db2.gz	ZFKCEPJXUWTFDF-UHFFFAOYSA-N	-1	2	368.480	3.483	50	0		FGAALM
Cc1c(Cl)cccc1N1C(=O)[C@H]2ON=C(c3ccc(F)cc3)C2=C1O	ZINC000101359225	222272073	/nfs/dbraw/zinc/27/20/73/222272073.db2.gz	HWWVPAFPSXDTOJ-HOCLYGCPSA-N	-1	2	358.756	3.080	50	0		FGAALM
CCC[C@@H](C)c1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)[nH]n1	ZINC000079106634	494404576	/nfs/dbraw/zinc/40/45/76/494404576.db2.gz	NKCNPDVYCGGSEX-SNVBAGLBSA-N	-1	2	351.428	3.121	50	0		FGAALM
C[C@H](Cc1ccc(NS(=O)(=O)c2cnc(C3CC3)s2)cc1)C(=O)[O-]	ZINC000585098044	571320425	/nfs/dbraw/zinc/32/04/25/571320425.db2.gz	IHXMNGHIEJKLQA-SNVBAGLBSA-N	-1	2	366.464	3.085	50	0		FGAALM
CCOc1ccc(S(=O)(=O)Nc2ncsc2C(C)C)cc1C(=O)[O-]	ZINC000288387472	499012077	/nfs/dbraw/zinc/01/20/77/499012077.db2.gz	ZZZZIBAMZGHKCU-UHFFFAOYSA-N	-1	2	370.452	3.164	50	0		FGAALM
O=C([O-])CCc1oc2cc(O)ccc2c(=O)c1-c1nc2ccccc2[nH]1	ZINC000000038207	219305383	/nfs/dbraw/zinc/30/53/83/219305383.db2.gz	FSGIPHFPDWXYON-UHFFFAOYSA-N	-1	2	350.330	3.059	50	0		FGAALM
CCOc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c(C)c1	ZINC000048382899	221012235	/nfs/dbraw/zinc/01/22/35/221012235.db2.gz	VFEWILSWHRRTLI-UHFFFAOYSA-N	-1	2	355.437	3.263	50	0		FGAALM
O=C([O-])CCC[C@@H]1[C@H]2CCC[N@H+]3CCC[C@@H](C[NH+]1Cc1cccnc1)[C@@H]23	ZINC000169676283	496716565	/nfs/dbraw/zinc/71/65/65/496716565.db2.gz	JSUVJGBGZAXFLS-PXCRPINLSA-N	-1	2	357.498	3.011	50	0		FGAALM