smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(-c2cccs2)cc(C)c1C=Cc1cncc(-c2nnn[n-]2)c1	ZINC000040828489	205081534	/nfs/dbraw/zinc/08/15/34/205081534.db2.gz	MEJCTTDSTVUJGB-AATRIKPKSA-N	-1	3	359.458	4.777	1	0		FJAFHM
Cc1cc(-c2cccs2)cc(C)c1C=Cc1cncc(-c2nn[n-]n2)c1	ZINC000040828489	205081536	/nfs/dbraw/zinc/08/15/36/205081536.db2.gz	MEJCTTDSTVUJGB-AATRIKPKSA-N	-1	3	359.458	4.777	1	0		FJAFHM
c1c(-c2nnn[n-]2)sc2cncc(Nc3ccc(-c4ccccc4)cc3)c12	ZINC000040829163	205083517	/nfs/dbraw/zinc/08/35/17/205083517.db2.gz	TUPRKLVIDDKQDQ-UHFFFAOYSA-N	-1	3	370.441	4.887	1	0		FJAFHM
C/C1=C/C[C@@H](OC(=O)c2ccc([O-])cc2)/C(C)=C\[C@H](O)C(C)(C)CCC1	ZINC000144130015	206139658	/nfs/dbraw/zinc/13/96/58/206139658.db2.gz	JDZBITULCWBIMC-YHYBFBBBSA-N	-1	3	358.478	4.771	1	0		FJAFHM
C/C1=C\CC/C(C)=C\[C@@H](O)[C@@H](C(C)C)[C@@H](OC(=O)c2ccc([O-])cc2)C1	ZINC000169294361	206248832	/nfs/dbraw/zinc/24/88/32/206248832.db2.gz	XUVXBQLHPFQADG-VMWMYKEESA-N	-1	3	358.478	4.627	1	0		FJAFHM
COc1ccc(SC2c3cccc([O-])c3C(=O)c3c(O)cccc32)cc1	ZINC000013757266	211057888	/nfs/dbraw/zinc/05/78/88/211057888.db2.gz	VMHDKWINYYKMJC-UHFFFAOYSA-N	-1	3	364.422	4.533	1	0		FJAFHM
COc1c2ccoc2c(CC=C(C)C)c2[n-]c3c(c(=O)c21)C=CCC3O	ZINC000095909933	291084702	/nfs/dbraw/zinc/08/47/02/291084702.db2.gz	HWGJCIRYJFWOQH-SJKOYZFVSA-N	-1	3	351.402	4.555	1	0	biogenic,in-vitro	FJAFHM
C[C@@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12Cc1c(c3c(cc1[O-])C(=O)OC3)O2	ZINC000095914461	291085204	/nfs/dbraw/zinc/08/52/04/291085204.db2.gz	OTYOIXMXORVTFK-UAOKWVNDSA-N	-1	3	370.489	4.999	1	0	biogenic,in-vitro	FJAFHM
COc1ccc2cc(C3=NCCc4cc(Cl)c([O-])cc4N3)ccc2c1	ZINC000045315725	205120611	/nfs/dbraw/zinc/12/06/11/205120611.db2.gz	CKOGQSGSYRJMCV-UHFFFAOYSA-N	-1	3	352.821	4.622	1	0		FJAFHM
CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cccc([O-])c23)C1(C)C	ZINC000014975768	211111235	/nfs/dbraw/zinc/11/12/35/211111235.db2.gz	BRXJBOGZEFKWPQ-UHFFFAOYSA-N	-1	3	355.478	4.638	1	0		FJAFHM
CCC[C@@H]1CC(=O)Oc2c(CC=C(C)C)c([O-])c3c(c21)O[C@H](C)[C@H](C)C3=O	ZINC000014685292	211098637	/nfs/dbraw/zinc/09/86/37/211098637.db2.gz	NLJGDOQXTXBYON-BFHYXJOUSA-N	-1	3	372.461	4.693	1	0	biogenic,in-vitro	FJAFHM
O=C1CS[C@@H](c2cc3ccccc3[n-]c2=S)N1c1cccc(Cl)c1	ZINC000103196435	222324121	/nfs/dbraw/zinc/32/41/21/222324121.db2.gz	DFKIJXWNTLHILO-SFHVURJKSA-N	-1	3	372.902	4.956	1	0		FJAFHM
c1c(-c2nnn[n-]2)sc2cncc(Oc3ccc(-c4ccccc4)cc3)c12	ZINC000040407095	205068849	/nfs/dbraw/zinc/06/88/49/205068849.db2.gz	ALSCJHCBHMRCIE-UHFFFAOYSA-N	-1	3	371.425	4.936	1	0		FJAFHM
COc1cc(/C=C/Cc2cc3oc(C)cc3c([O-])c2)cc(OC)c1OC	ZINC000040566736	205071547	/nfs/dbraw/zinc/07/15/47/205071547.db2.gz	LCQFMQSGMSSSFN-FNORWQNLSA-N	-1	3	354.402	4.729	1	0		FJAFHM
O=C1C[C@H](c2ccc(Cl)cc2)Cc2[n-]c3cc(Cl)ccc3c(=O)c21	ZINC000063539433	205294737	/nfs/dbraw/zinc/29/47/37/205294737.db2.gz	MSHWFKSJTARSSX-LLVKDONJSA-N	-1	3	358.224	4.748	1	0		FJAFHM
C/C1=C/CC[C@@](C)(O)/C=C\[C@@H](C(C)C)[C@@H](OC(=O)c2ccc([O-])cc2)C1	ZINC000169291202	206248856	/nfs/dbraw/zinc/24/88/56/206248856.db2.gz	AVRRAMZPNSQDIW-RTFCZXGWSA-N	-1	3	358.478	4.627	1	0		FJAFHM
[O-]c1csc(N2N=C(c3ccccc3)C[C@@H]2c2ccc3ccccc3c2)n1	ZINC000169336299	206252308	/nfs/dbraw/zinc/25/23/08/206252308.db2.gz	BVQPQYATPTWBFE-HXUWFJFHSA-N	-1	3	371.465	4.620	1	0		FJAFHM
C/C1=C\[C@H](O)C(C)(C)CCC/C(C)=C\C[C@H]1OC(=O)c1ccc([O-])cc1	ZINC000014441598	211092431	/nfs/dbraw/zinc/09/24/31/211092431.db2.gz	JDZBITULCWBIMC-WUJVYGQUSA-N	-1	3	358.478	4.771	1	0		FJAFHM
COc1cc(C=C2c3ccccc3C(=O)c3ccccc32)cc(OC)c1[O-]	ZINC000013524968	211037944	/nfs/dbraw/zinc/03/79/44/211037944.db2.gz	BFGRBDMQIUTZOC-UHFFFAOYSA-N	-1	3	358.393	4.543	1	0		FJAFHM
O=C(Nc1cccc(C(F)(F)F)c1)c1cccc2nc(C(F)(F)F)[n-]c21	ZINC000045201528	205117604	/nfs/dbraw/zinc/11/76/04/205117604.db2.gz	RIOSGCFCCHMISR-UHFFFAOYSA-N	-1	3	373.256	4.853	1	0		FJAFHM
O=C(Nc1cccc(C(F)(F)F)c1)c1cccc2[n-]c(C(F)(F)F)nc21	ZINC000045201528	205117608	/nfs/dbraw/zinc/11/76/08/205117608.db2.gz	RIOSGCFCCHMISR-UHFFFAOYSA-N	-1	3	373.256	4.853	1	0		FJAFHM
Nc1c(=O)[nH]c2cc(C(F)(F)F)ccc2c1-c1cc(Cl)ccc1[O-]	ZINC000100804500	222253861	/nfs/dbraw/zinc/25/38/61/222253861.db2.gz	FIKKMEWLLLPZIV-UHFFFAOYSA-N	-1	3	354.715	4.567	1	0		FJAFHM
CCC[C@H]1CC(=O)Oc2c(CC=C(C)C)c([O-])c3c(c21)O[C@@H](C)[C@H](C)C3=O	ZINC000085834579	210237144	/nfs/dbraw/zinc/23/71/44/210237144.db2.gz	NLJGDOQXTXBYON-IHRRRGAJSA-N	-1	3	372.461	4.693	1	0		FJAFHM
CC(=O)O[C@H]1CC(C)(C)[C@@H]2CC(=O)c3cc(C(C)C)c([O-])cc3[C@@]2(C)C1	ZINC000013480885	291083443	/nfs/dbraw/zinc/08/34/43/291083443.db2.gz	LVRUFBJYFAGDRK-PRPYNDMISA-N	-1	3	358.478	4.728	1	0	biogenic,in-vitro	FJAFHM
O=C1Nc2cc(C(F)(F)F)ccc2S[C@H]1c1cc(Cl)ccc1[O-]	ZINC000040379677	205067680	/nfs/dbraw/zinc/06/76/80/205067680.db2.gz	VTBIJEIKZLXUPK-ZDUSSCGKSA-N	-1	3	359.756	4.850	1	0		FJAFHM
CCO[C@@H]1OC[C@@]2(C)CCC[C@@]13c1cc([O-])c(C(C)C)cc1C(=O)C[C@H]32	ZINC000066103174	205364528	/nfs/dbraw/zinc/36/45/28/205364528.db2.gz	AVCUMQCXLPRLSN-CBPXPLCBSA-N	-1	3	358.478	4.539	1	0	in-vitro	FJAFHM
C/C1=C\CC/C(C)=C\[C@@H](O)[C@H](C(C)C)[C@@H](OC(=O)c2ccc([O-])cc2)C1	ZINC000195260058	206331802	/nfs/dbraw/zinc/33/18/02/206331802.db2.gz	XUVXBQLHPFQADG-RDIKGWDOSA-N	-1	3	358.478	4.627	1	0		FJAFHM
C/C1=C\[C@@H](O)[C@@H](C(C)C)[C@@H](OC(=O)c2ccc([O-])cc2)C/C(C)=C\CC1	ZINC000064490904	212038798	/nfs/dbraw/zinc/03/87/98/212038798.db2.gz	XUVXBQLHPFQADG-PWAYKRMSSA-N	-1	3	358.478	4.627	1	0		FJAFHM
O=C1C[C@@H](c2ccc(Cl)cc2)Cc2[n-]c3cc(Cl)ccc3c(=O)c21	ZINC000063539434	212032541	/nfs/dbraw/zinc/03/25/41/212032541.db2.gz	MSHWFKSJTARSSX-NSHDSACASA-N	-1	3	358.224	4.748	1	0		FJAFHM
c1c(-c2nnn[n-]2)sc2cncc(Oc3cccc(-c4ccccc4)c3)c12	ZINC000040976787	205086390	/nfs/dbraw/zinc/08/63/90/205086390.db2.gz	FMENTFKZKBOLCS-UHFFFAOYSA-N	-1	3	371.425	4.936	1	0		FJAFHM
CN1CCc2cc(Cl)c([O-])cc2[C@H]1Cc1ccccc1Br	ZINC000045300322	205119492	/nfs/dbraw/zinc/11/94/92/205119492.db2.gz	MSEVMHUUSIDZGV-MRXNPFEDSA-N	-1	3	366.686	4.580	1	0		FJAFHM
Cc1ccc(Nc2cc3c(cc2Nc2ccc(C)cc2)C(=O)[N-]C3=O)cc1	ZINC000013735546	211055541	/nfs/dbraw/zinc/05/55/41/211055541.db2.gz	KSZXNFIEZNOXCC-UHFFFAOYSA-N	-1	3	357.413	4.674	1	0	in-vivo	FJAFHM
CCC[C@@H]1CC(=O)Oc2c(CC=C(C)C)c([O-])c3c(c21)O[C@@H](C)[C@H](C)C3=O	ZINC000085834576	560066662	/nfs/dbraw/zinc/06/66/62/560066662.db2.gz	NLJGDOQXTXBYON-MELADBBJSA-N	-1	3	372.461	4.693	1	0	biogenic,in-vitro	FJAFHM
C/C1=C\CC[C@@](C)(O)/C=C/[C@@H](C(C)C)[C@@H](OC(=O)c2ccc([O-])cc2)C1	ZINC000005382309	204206551	/nfs/dbraw/zinc/20/65/51/204206551.db2.gz	AVRRAMZPNSQDIW-VSPFYZSGSA-N	-1	3	358.478	4.627	1	0		FJAFHM
COc1cc(/C=C/Cc2cc3sccc3c([O-])c2)cc(OC)c1OC	ZINC000038143423	205038851	/nfs/dbraw/zinc/03/88/51/205038851.db2.gz	PFXLWGSECSGAJQ-GQCTYLIASA-N	-1	3	356.443	4.889	1	0		FJAFHM
COC(=O)c1c(N)oc2c1c(Sc1cccc(C)c1)c([O-])c(C)c2C	ZINC000064527534	205299186	/nfs/dbraw/zinc/29/91/86/205299186.db2.gz	OUSPWXNXBALWFK-UHFFFAOYSA-N	-1	3	357.431	4.584	1	0		FJAFHM
C/C1=C\C[C@@H](OC(=O)c2ccc([O-])cc2)/C(C)=C/[C@H](O)C(C)(C)CCC1	ZINC000135942001	206129148	/nfs/dbraw/zinc/12/91/48/206129148.db2.gz	JDZBITULCWBIMC-FOBKGTJHSA-N	-1	3	358.478	4.771	1	0		FJAFHM
CC(C)=CC(=O)Nc1cc2cc([O-])c3nccc4c3c2n1-c1ccccc1-4	ZINC000096910857	209161344	/nfs/dbraw/zinc/16/13/44/209161344.db2.gz	IWIBKNRYVHDQHU-UHFFFAOYSA-N	-1	3	355.397	4.769	1	0		FJAFHM
COc1ccc(-c2onc(C)c2-c2cnn(-c3ccccc3)c2)c([O-])c1C	ZINC000013125482	220058632	/nfs/dbraw/zinc/05/86/32/220058632.db2.gz	FZQUBQAPRRBGKK-UHFFFAOYSA-N	-1	3	361.401	4.525	1	0		FJAFHM
NC(=O)N([O-])[C@H]1CCCc2cc(OCc3ccc4ccccc4c3)ccc21	ZINC000013760622	220093777	/nfs/dbraw/zinc/09/37/77/220093777.db2.gz	ZKPWRXSLOLJZQP-NRFANRHFSA-N	-1	3	362.429	4.566	1	0		FJAFHM
C[C@]12CC[C@@H]3c4cc(Br)c([O-])cc4CC[C@H]3[C@@H]1CCCC2=O	ZINC000035966610	208139783	/nfs/dbraw/zinc/13/97/83/208139783.db2.gz	HDRDXBUMXMJISX-QPWUGHHJSA-N	-1	3	363.295	4.970	1	0		FJAFHM
O=c1[nH]c(=S)[n-]c2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)c12	ZINC000038621116	208203309	/nfs/dbraw/zinc/20/33/09/208203309.db2.gz	DYRBPRGPDWSBIO-UHFFFAOYSA-N	-1	3	365.845	4.594	1	0		FJAFHM
COc1ccc(Cl)cc1C(=S)Nc1ccc(C(F)(F)F)cc1[O-]	ZINC000084690202	208960035	/nfs/dbraw/zinc/96/00/35/208960035.db2.gz	UZNOSQGRMWLPIC-UHFFFAOYSA-N	-1	3	361.772	4.861	1	0		FJAFHM
CCN(CC)C(=O)c1c([O-])cc(O)cc1CCc1ccc2ccccc2c1	ZINC000095586673	209081800	/nfs/dbraw/zinc/08/18/00/209081800.db2.gz	VDHNSHKKROVEOA-UHFFFAOYSA-N	-1	3	363.457	4.518	1	0		FJAFHM
Cc1ccccc1N1C(=O)CS[C@@H]1c1cc2ccccc2[n-]c1=S	ZINC000103194799	209247840	/nfs/dbraw/zinc/24/78/40/209247840.db2.gz	MMFZNXDLILSICK-LJQANCHMSA-N	-1	3	352.484	4.611	1	0		FJAFHM
O=C1CS[C@H](c2cc3ccccc3[n-]c2=S)N1c1ccc(Cl)cc1	ZINC000103175744	209246610	/nfs/dbraw/zinc/24/66/10/209246610.db2.gz	QZASOOBVESZUFR-GOSISDBHSA-N	-1	3	372.902	4.956	1	0		FJAFHM
Cc1ccc(COc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)cc1	ZINC000103201400	209248509	/nfs/dbraw/zinc/24/85/09/209248509.db2.gz	HZJUTDSLLJUNAE-UHFFFAOYSA-N	-1	3	367.470	4.683	1	0		FJAFHM
Cc1ccccc1N1C(=O)CS[C@H]1c1cc2ccccc2[n-]c1=S	ZINC000103194796	209247904	/nfs/dbraw/zinc/24/79/04/209247904.db2.gz	MMFZNXDLILSICK-IBGZPJMESA-N	-1	3	352.484	4.611	1	0		FJAFHM
O=C1CS[C@@H](c2cc3ccccc3[n-]c2=S)N1c1ccc(Cl)cc1	ZINC000103175746	209247352	/nfs/dbraw/zinc/24/73/52/209247352.db2.gz	QZASOOBVESZUFR-SFHVURJKSA-N	-1	3	372.902	4.956	1	0		FJAFHM
O=S(=O)([N-]c1ccccc1Cl)c1cc(C(F)(F)F)ccc1Cl	ZINC000016101120	220178281	/nfs/dbraw/zinc/17/82/81/220178281.db2.gz	XGYNLZOWNUUDSZ-UHFFFAOYSA-N	-1	3	370.179	4.813	1	0		FJAFHM
[O-][C@@]1(C(F)(F)F)c2[nH]c3c(cc(Cl)cc3Cl)c2CCC1(F)F	ZINC000064559518	221148905	/nfs/dbraw/zinc/14/89/05/221148905.db2.gz	ZNQUFMFGFSMGLK-LBPRGKRZSA-N	-1	3	360.109	4.806	1	0		FJAFHM
Clc1ccc([N-]c2noc(-c3ccc4c(c3)OCO4)n2)cc1Cl	ZINC000066123644	221242728	/nfs/dbraw/zinc/24/27/28/221242728.db2.gz	LBHMEWRYOZNMST-UHFFFAOYSA-N	-1	3	350.161	4.516	1	0		FJAFHM
COc1ccc(Cn2nc(-c3ccc(Cl)cc3Cl)[n-]c2=S)cc1	ZINC000013536880	220072340	/nfs/dbraw/zinc/07/23/40/220072340.db2.gz	DYGOJPOFPDPJCP-UHFFFAOYSA-N	-1	3	366.273	4.598	1	0		FJAFHM
CCCN(CC1CC1)c1cc(Br)cc(Br)c1[O-]	ZINC000066079755	221240577	/nfs/dbraw/zinc/24/05/77/221240577.db2.gz	JVMBPVXNZOBLBG-UHFFFAOYSA-N	-1	3	363.093	4.544	1	0		FJAFHM
CCc1ccc(-n2c(Cl)cc3[nH]c(=O)c(-c4ccccc4)c([O-])c32)cc1	ZINC000096913629	222138767	/nfs/dbraw/zinc/13/87/67/222138767.db2.gz	CNKANSZIAKIZPN-UHFFFAOYSA-N	-1	3	364.832	4.907	1	0		FJAFHM
Nc1c(=O)[nH]c2cccc(C(F)(F)F)c2c1-c1cc(Cl)ccc1[O-]	ZINC000101231568	222265555	/nfs/dbraw/zinc/26/55/55/222265555.db2.gz	NGKYBCPJCROCMD-UHFFFAOYSA-N	-1	3	354.715	4.567	1	0		FJAFHM
Cc1cccc(N2C(=O)CS[C@@H]2c2cc3ccccc3[n-]c2=S)c1	ZINC000103196400	222324841	/nfs/dbraw/zinc/32/48/41/222324841.db2.gz	UCLVADYXNABGNX-LJQANCHMSA-N	-1	3	352.484	4.611	1	0		FJAFHM
COC(=O)c1c(N)oc2c1c(Sc1ccc(C)c(C)c1)c([O-])c(C)c2C	ZINC000064750233	221151528	/nfs/dbraw/zinc/15/15/28/221151528.db2.gz	PJHSXSVQKVMCCG-UHFFFAOYSA-N	-1	3	371.458	4.892	1	0		FJAFHM
CC(C)(C(=O)Nc1nccs1)[C@@H](c1ccccc1)c1ccc([O-])cc1F	ZINC000072109960	221406576	/nfs/dbraw/zinc/40/65/76/221406576.db2.gz	LINXPBWLXPKDPX-KRWDZBQOSA-N	-1	3	370.449	4.785	1	0		FJAFHM
C/C=C(\C)C(=O)Nc1cc2cc([O-])c3nccc4c3c2n1-c1ccccc1-4	ZINC000096910856	222139252	/nfs/dbraw/zinc/13/92/52/222139252.db2.gz	KNQDHHRMPVESSY-KGVSQERTSA-N	-1	3	355.397	4.769	1	0		FJAFHM
Cc1cc([N-]c2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(C)n1	ZINC000006716617	581091606	/nfs/dbraw/zinc/09/16/06/581091606.db2.gz	WFRLFWGASBLYTC-UHFFFAOYSA-N	-1	3	373.869	4.508	1	0	in-vitro	FJAFHM
CC1=C(c2ccccc2[O-])C(=O)N(C(C)(C)c2nc3ccccc3s2)C1	ZINC000103198989	209248115	/nfs/dbraw/zinc/24/81/15/209248115.db2.gz	XHJFMKZNRGRQNQ-UHFFFAOYSA-N	-1	3	364.470	4.553	1	0		FJAFHM
O=Cc1cn(-c2nc3cc(Cl)cc(Cl)c3o2)nc1-c1ccc([O-])cc1	ZINC000103179023	209247298	/nfs/dbraw/zinc/24/72/98/209247298.db2.gz	WARPYRNYUPQMNT-UHFFFAOYSA-N	-1	3	374.183	4.505	1	0		FJAFHM
C/C1=C\CC/C(C)=C/[C@@H](O)[C@H](C(C)C)[C@@H](OC(=O)c2ccc([O-])cc2)C1	ZINC000013827622	220096534	/nfs/dbraw/zinc/09/65/34/220096534.db2.gz	XUVXBQLHPFQADG-OYARPCFVSA-N	-1	3	358.478	4.627	1	0		FJAFHM
COc1ccc([C@@H]2CC(=O)c3c([O-])cc(OC)c(CC=C(C)C)c3O2)cc1	ZINC000014819324	220133659	/nfs/dbraw/zinc/13/36/59/220133659.db2.gz	QTEBTSUWUVNMHC-IBGZPJMESA-N	-1	3	368.429	4.625	1	0		FJAFHM
C/C1=C\CC[C@](C)(O)/C=C/[C@@H](C(C)C)[C@@H](OC(=O)c2ccc([O-])cc2)C1	ZINC000005382313	207097416	/nfs/dbraw/zinc/09/74/16/207097416.db2.gz	AVRRAMZPNSQDIW-WONNBSMPSA-N	-1	3	358.478	4.627	1	0		FJAFHM
COc1c(CC=C(C)C)c([O-])cc2c1-c1oc3cc(O)ccc3c1CO2	ZINC000014819625	571724937	/nfs/dbraw/zinc/72/49/37/571724937.db2.gz	AEAIWNGAMDGGNB-UHFFFAOYSA-N	-1	3	352.386	4.921	1	0	endogenous,in-man	FJAFHM
Cc1ccc(N2C(=O)CS[C@H]2c2cc3ccccc3[n-]c2=S)cc1	ZINC000103196404	209248429	/nfs/dbraw/zinc/24/84/29/209248429.db2.gz	QTSQIQYQJWYLJU-IBGZPJMESA-N	-1	3	352.484	4.611	1	0		FJAFHM
O=c1c(C=C([O-])c2ccc(F)cc2)nc2ccccc2n1-c1ccccc1	ZINC000101625147	209227179	/nfs/dbraw/zinc/22/71/79/209227179.db2.gz	ALIQSQOSGOASDZ-STZFKDTASA-N	-1	3	358.372	4.581	1	0		FJAFHM
O=C1c2c([O-])cccc2Cc2ccc(CCCCc3ccccc3)c(O)c21	ZINC000013490529	220070302	/nfs/dbraw/zinc/07/03/02/220070302.db2.gz	PQRZMFMPRIIXFH-UHFFFAOYSA-N	-1	3	358.437	4.798	1	0		FJAFHM
COc1cc(/C=C2\c3sccc3C(=O)c3ccccc32)cc(OC)c1[O-]	ZINC000034095728	208103409	/nfs/dbraw/zinc/10/34/09/208103409.db2.gz	QKNHIXATTPOZEF-SXGWCWSVSA-N	-1	3	364.422	4.604	1	0		FJAFHM
CN1CCc2cc(Br)c([O-])cc2[C@@H]1Cc1ccccc1Cl	ZINC000045301988	208330591	/nfs/dbraw/zinc/33/05/91/208330591.db2.gz	DNBNCVBHGFCTMA-INIZCTEOSA-N	-1	3	366.686	4.580	1	0		FJAFHM
Cc1ccc(-c2[nH]c(=S)[n-]c(=O)c2Cc2c(O)ccc3ccccc32)cc1	ZINC000045506088	208335702	/nfs/dbraw/zinc/33/57/02/208335702.db2.gz	RBNXRHALCIDNNY-UHFFFAOYSA-N	-1	3	374.465	4.858	1	0		FJAFHM
COc1cccc2c(-c3ccc([O-])c4c3CCN=C4)ccc(OC(C)C)c12	ZINC000064447193	221145958	/nfs/dbraw/zinc/14/59/58/221145958.db2.gz	QSXDKPKQECLMLL-UHFFFAOYSA-N	-1	3	361.441	4.983	1	0		FJAFHM
CN(Cc1ccccc1)c1cc(Br)cc(Br)c1[O-]	ZINC000066079752	221240259	/nfs/dbraw/zinc/24/02/59/221240259.db2.gz	CPSWTXDWEMCKKR-UHFFFAOYSA-N	-1	3	371.072	4.554	1	0		FJAFHM
O=C1c2ccc(Nc3ccc(F)cc3F)cc2OCc2ccc([O-])cc21	ZINC000103273344	222330364	/nfs/dbraw/zinc/33/03/64/222330364.db2.gz	QAAFFJKJGBESQJ-UHFFFAOYSA-N	-1	3	353.324	4.537	1	0		FJAFHM