smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC/C=C/CCCCCCCC(=O)[O-] ZINC000002038666 171163844 /nfs/dbraw/zinc/16/38/44/171163844.db2.gz FKLSONDBCYHMOQ-ONEGZZNKSA-N -1 0 198.306 3.768 10 0 in-vitro AHAERM CCCC/C=C\CCCCCC(=O)[O-] ZINC000013546062 343036165 /nfs/dbraw/zinc/03/61/65/343036165.db2.gz MZNHSVOKYCWLPQ-WAYWQWQTSA-N -1 0 198.306 3.768 10 0 AHAERM CCCC/C=C/CCCCCC(=O)[O-] ZINC000013546063 166837285 /nfs/dbraw/zinc/83/72/85/166837285.db2.gz MZNHSVOKYCWLPQ-AATRIKPKSA-N -1 0 198.306 3.768 10 0 AHAERM CCCCC/C=C\CC/C=C/C(=O)[O-] ZINC000015146058 560228798 /nfs/dbraw/zinc/22/87/98/560228798.db2.gz RFHKVLKBWQIQDY-JFEAUALZSA-N -1 0 196.290 3.544 10 0 in-vitro AHAERM CC/C=C\CCCCCCCC(=O)[O-] ZINC000015146257 343041747 /nfs/dbraw/zinc/04/17/47/343041747.db2.gz FKLSONDBCYHMOQ-ARJAWSKDSA-N -1 0 198.306 3.768 10 0 in-vitro AHAERM [S-]c1ccc2[nH]c3ccccc3c2c1 ZINC000020431080 171039507 /nfs/dbraw/zinc/03/95/07/171039507.db2.gz REUCBGCEOFUGQX-UHFFFAOYSA-N -1 0 199.278 3.610 10 0 AHAERM [S-]c1ccc2c(c1)-c1ccccc1C2 ZINC000020431090 572217685 /nfs/dbraw/zinc/21/76/85/572217685.db2.gz ZWPIXIWXVAMEKN-UHFFFAOYSA-N -1 0 198.290 3.547 10 0 AHAERM [S-]c1cccc2cccc(Cl)c12 ZINC000033605095 171051708 /nfs/dbraw/zinc/05/17/08/171051708.db2.gz YICMQGKNGMHCIU-UHFFFAOYSA-N -1 0 194.686 3.782 10 0 AHAERM CCCCCC/C(CC)=C(\C)C(=O)[O-] ZINC000033753894 572033779 /nfs/dbraw/zinc/03/37/79/572033779.db2.gz ZVAYQRYFPRUYPL-ZHACJKMWSA-N -1 0 198.306 3.768 10 0 AHAERM CCC(C)(C)c1cccc(Cl)c1O ZINC000034492979 572087078 /nfs/dbraw/zinc/08/70/78/572087078.db2.gz SAHZYCJXNXRPDF-UHFFFAOYSA-N -1 0 198.693 3.733 10 0 AHAERM CCC(C)(C)c1ccc([S-])cc1 ZINC000034497034 343120465 /nfs/dbraw/zinc/12/04/65/343120465.db2.gz YJUFLNZGJQSNRI-UHFFFAOYSA-N -1 0 180.316 3.663 10 0 AHAERM CCCCCCSC(=S)[S-] ZINC000034768631 343125122 /nfs/dbraw/zinc/12/51/22/343125122.db2.gz DEMYCXXAQKCRNF-UHFFFAOYSA-N -1 0 194.390 3.515 10 0 AHAERM O=C([O-])/C1=C/CCCCCCCCC1 ZINC000038203725 169334807 /nfs/dbraw/zinc/33/48/07/169334807.db2.gz VIOUXKOATDSRRK-PKNBQFBNSA-N -1 0 196.290 3.522 10 0 AHAERM CC(C)=CCC/C(C)=C\CCC(=O)[O-] ZINC000038613911 171044856 /nfs/dbraw/zinc/04/48/56/171044856.db2.gz HPOYZGTYWKRTPU-FLIBITNWSA-N -1 0 196.290 3.544 10 0 AHAERM CC(C)=CCC/C(C)=C/CCC(=O)[O-] ZINC000038613914 171045128 /nfs/dbraw/zinc/04/51/28/171045128.db2.gz HPOYZGTYWKRTPU-DHZHZOJOSA-N -1 0 196.290 3.544 10 0 AHAERM [S-]c1ccc(Cl)c2ccccc12 ZINC000039419492 171078998 /nfs/dbraw/zinc/07/89/98/171078998.db2.gz IZGCRLJNTYEDEX-UHFFFAOYSA-N -1 0 194.686 3.782 10 0 AHAERM Cc1cc(C(C)(C)C)cc(C)c1[S-] ZINC000059448680 572970994 /nfs/dbraw/zinc/97/09/94/572970994.db2.gz YRAHOMRNPLGOCK-UHFFFAOYSA-N -1 0 194.343 3.890 10 0 AHAERM CCCCC/C=C\CC/C=C\C(=O)[O-] ZINC000078310949 573175653 /nfs/dbraw/zinc/17/56/53/573175653.db2.gz RFHKVLKBWQIQDY-QOXWLJPHSA-N -1 0 196.290 3.544 10 0 AHAERM CCCCC/C=C/CC/C=C\C(=O)[O-] ZINC000078310951 573177739 /nfs/dbraw/zinc/17/77/39/573177739.db2.gz RFHKVLKBWQIQDY-WFKFFMJQSA-N -1 0 196.290 3.544 10 0 AHAERM CCCCC1(C(=O)[O-])CCCCCC1 ZINC000083779075 572410214 /nfs/dbraw/zinc/41/02/14/572410214.db2.gz XLFXUZRGSPPJBS-UHFFFAOYSA-N -1 0 198.306 3.602 10 0 AHAERM Cc1ccc2ccc(=S)[nH]c2c1C ZINC000083966332 573722556 /nfs/dbraw/zinc/72/25/56/573722556.db2.gz UAJRBXVDMJCROA-UHFFFAOYSA-N -1 0 189.283 3.514 10 0 AHAERM C/C=C/C[C@](CC)(CCCC)C(=O)[O-] ZINC000086336894 572916360 /nfs/dbraw/zinc/91/63/60/572916360.db2.gz SFMXXEXTCOLFBF-RPTYSRGTSA-N -1 0 198.306 3.624 10 0 AHAERM C/C=C/C[C@@](CC)(CCCC)C(=O)[O-] ZINC000086336895 572915328 /nfs/dbraw/zinc/91/53/28/572915328.db2.gz SFMXXEXTCOLFBF-NTYUQYKDSA-N -1 0 198.306 3.624 10 0 AHAERM CCCC1(C(=O)[O-])CCCCCCC1 ZINC000087690724 574018978 /nfs/dbraw/zinc/01/89/78/574018978.db2.gz GBMISIIVNJSFQW-UHFFFAOYSA-N -1 0 198.306 3.602 10 0 AHAERM CC(C)=C(CCC(=O)[O-])CCC(C)C ZINC000095934470 171140704 /nfs/dbraw/zinc/14/07/04/171140704.db2.gz HQOZJCSHNSSIIH-UHFFFAOYSA-N -1 0 198.306 3.624 10 0 AHAERM CC(C)=CCC[C@@H](C)CCCC(=O)[O-] ZINC000098091779 371657317 /nfs/dbraw/zinc/65/73/17/371657317.db2.gz SEKHAGCBKYMSBO-LLVKDONJSA-N -1 0 198.306 3.624 10 0 AHAERM CC(C)=CCC[C@H](C)CCCC(=O)[O-] ZINC000098091780 371657039 /nfs/dbraw/zinc/65/70/39/371657039.db2.gz SEKHAGCBKYMSBO-NSHDSACASA-N -1 0 198.306 3.624 10 0 AHAERM CCCCCC[C@@H](C)C/C=C\C(=O)[O-] ZINC000111954773 571874887 /nfs/dbraw/zinc/87/48/87/571874887.db2.gz ROYFWQWGQUTENN-ZJRUKIMVSA-N -1 0 198.306 3.624 10 0 AHAERM CCCCCC[C@H](C)C/C=C\C(=O)[O-] ZINC000111954776 571874414 /nfs/dbraw/zinc/87/44/14/571874414.db2.gz ROYFWQWGQUTENN-BRNRAETOSA-N -1 0 198.306 3.624 10 0 AHAERM [CH2]c1ccc(-c2ccccc2)cc1 ZINC000112985240 574044928 /nfs/dbraw/zinc/04/49/28/574044928.db2.gz LIEDYKLWNUCKIA-UHFFFAOYSA-N -1 0 167.231 3.536 10 0 AHAERM C/C=C/CCCCCC[C@@H](C)C(=O)[O-] ZINC000116919711 572981332 /nfs/dbraw/zinc/98/13/32/572981332.db2.gz HWLVUOAKOSRRCD-PGLGOXFNSA-N -1 0 198.306 3.624 10 0 AHAERM C/C=C/CCCCCC[C@H](C)C(=O)[O-] ZINC000116919713 572980876 /nfs/dbraw/zinc/98/08/76/572980876.db2.gz HWLVUOAKOSRRCD-UFFNRZRYSA-N -1 0 198.306 3.624 10 0 AHAERM CCCCCc1ccccc1[S-] ZINC000117012746 343771672 /nfs/dbraw/zinc/77/16/72/343771672.db2.gz WZBFJIJMYDYPKF-UHFFFAOYSA-N -1 0 180.316 3.708 10 0 AHAERM CC(C)/C=C/CCCCCCC(=O)[O-] ZINC000118295988 572831353 /nfs/dbraw/zinc/83/13/53/572831353.db2.gz XUIREFBROXYYPT-VQHVLOKHSA-N -1 0 198.306 3.624 10 0 AHAERM CC(C)/C=C\CCCCCCC(=O)[O-] ZINC000118295995 572831744 /nfs/dbraw/zinc/83/17/44/572831744.db2.gz XUIREFBROXYYPT-CLFYSBASSA-N -1 0 198.306 3.624 10 0 AHAERM [CH2]CCCC(C)(C)c1ccccc1 ZINC000140445805 571734486 /nfs/dbraw/zinc/73/44/86/571734486.db2.gz OLAZNBAGFYTDGO-UHFFFAOYSA-N -1 0 175.295 3.969 10 0 AHAERM Cc1cc(Cl)c2ccccc2c1O ZINC000142676143 344014107 /nfs/dbraw/zinc/01/41/07/344014107.db2.gz OIPYUMLEMYGUKA-UHFFFAOYSA-N -1 0 192.645 3.507 10 0 AHAERM Cc1cc(Cl)c([S-])cc1Cl ZINC000144482300 344027036 /nfs/dbraw/zinc/02/70/36/344027036.db2.gz QTBBWAVLSXPJGA-UHFFFAOYSA-N -1 0 193.098 3.591 10 0 AHAERM CCCCC/C(=C\C(C)(C)C)C(=O)[O-] ZINC000144852645 573903658 /nfs/dbraw/zinc/90/36/58/573903658.db2.gz RMMJKBCFMREKDX-MDZDMXLPSA-N -1 0 198.306 3.624 10 0 AHAERM CCCCC/C(=C/C(C)(C)C)C(=O)[O-] ZINC000144854492 573905851 /nfs/dbraw/zinc/90/58/51/573905851.db2.gz RMMJKBCFMREKDX-KTKRTIGZSA-N -1 0 198.306 3.624 10 0 AHAERM CCC/C=C\CCCC[C@@H](C)C(=O)[O-] ZINC000145223247 571895110 /nfs/dbraw/zinc/89/51/10/571895110.db2.gz UEQRWZJHVMXQEN-ISALQUGTSA-N -1 0 198.306 3.624 10 0 AHAERM CC/C(C)=C\CC/C(=C\C(=O)[O-])CC ZINC000150301997 573936928 /nfs/dbraw/zinc/93/69/28/573936928.db2.gz IVATVILETWLKJE-HDEMWOFXSA-N -1 0 196.290 3.544 10 0 AHAERM CCC/C=C/CCCCCCC(=O)[O-] ZINC000169170833 344347903 /nfs/dbraw/zinc/34/79/03/344347903.db2.gz OZKLKDKGPNBGPK-SNAWJCMRSA-N -1 0 198.306 3.768 10 0 AHAERM CCC(CC)Nc1ccccc1[S-] ZINC000196477056 572215455 /nfs/dbraw/zinc/21/54/55/572215455.db2.gz LWJYYBHYLKXIAM-UHFFFAOYSA-N -1 0 195.331 3.576 10 0 AHAERM C/C=C\C[C@](CC)(CCCC)C(=O)[O-] ZINC000211744173 573871679 /nfs/dbraw/zinc/87/16/79/573871679.db2.gz SFMXXEXTCOLFBF-DJFZKKHWSA-N -1 0 198.306 3.624 10 0 AHAERM C/C=C\C[C@@](CC)(CCCC)C(=O)[O-] ZINC000211744244 573873836 /nfs/dbraw/zinc/87/38/36/573873836.db2.gz SFMXXEXTCOLFBF-KMSCOEIWSA-N -1 0 198.306 3.624 10 0 AHAERM C/C=C\[C@@H](CCCCCC)CC(=O)[O-] ZINC000214040263 571706656 /nfs/dbraw/zinc/70/66/56/571706656.db2.gz JNYXMXPKMPSWEX-OHYQPGSNSA-N -1 0 198.306 3.624 10 0 AHAERM C/C=C\[C@H](CCCCCC)CC(=O)[O-] ZINC000214040326 571705562 /nfs/dbraw/zinc/70/55/62/571705562.db2.gz JNYXMXPKMPSWEX-LAUIRUGDSA-N -1 0 198.306 3.624 10 0 AHAERM C/C=C/[C@H](CCCCCC)CC(=O)[O-] ZINC000214040392 572945707 /nfs/dbraw/zinc/94/57/07/572945707.db2.gz JNYXMXPKMPSWEX-SOZJPDODSA-N -1 0 198.306 3.624 10 0 AHAERM CCCCCC=C=CCCCC(=O)[O-] ZINC000215347477 573746617 /nfs/dbraw/zinc/74/66/17/573746617.db2.gz LUSDZXQBBFFDOT-UHFFFAOYSA-N -1 0 196.290 3.533 10 0 AHAERM CCCCC/C=C(\C)C[C@H](C)C(=O)[O-] ZINC000222793558 573995936 /nfs/dbraw/zinc/99/59/36/573995936.db2.gz YUOQTDSZCSWDGF-UQSGXBNBSA-N -1 0 198.306 3.624 10 0 AHAERM CCCCC/C=C(/C)C[C@H](C)C(=O)[O-] ZINC000222793628 573994221 /nfs/dbraw/zinc/99/42/21/573994221.db2.gz YUOQTDSZCSWDGF-IEHMKBBKSA-N -1 0 198.306 3.624 10 0 AHAERM Cc1ccc(Cl)c([S-])c1Cl ZINC000223349776 344459907 /nfs/dbraw/zinc/45/99/07/344459907.db2.gz GXEGYEWVRZFISP-UHFFFAOYSA-N -1 0 193.098 3.591 10 0 AHAERM CC(C(=O)[O-])=C1CCCCCCCC1 ZINC000238088189 573762439 /nfs/dbraw/zinc/76/24/39/573762439.db2.gz NLRYAHCABZWKHI-UHFFFAOYSA-N -1 0 196.290 3.522 10 0 AHAERM CCC/C=C(\CCCC)[C@@H](C)C(=O)[O-] ZINC000238188488 572974113 /nfs/dbraw/zinc/97/41/13/572974113.db2.gz LFCSBXQKYDVHBS-MXBGMFSPSA-N -1 0 198.306 3.624 10 0 AHAERM CCC/C=C(\CCCC)[C@H](C)C(=O)[O-] ZINC000238188504 572977909 /nfs/dbraw/zinc/97/79/09/572977909.db2.gz LFCSBXQKYDVHBS-NGPGYTDTSA-N -1 0 198.306 3.624 10 0 AHAERM CCCC/C=C(/CCC)CCC(=O)[O-] ZINC000238189565 572977509 /nfs/dbraw/zinc/97/75/09/572977509.db2.gz ZMFIBUJBBNIFPF-FLIBITNWSA-N -1 0 198.306 3.768 10 0 AHAERM CCCCCCC(C)=C=CCC(=O)[O-] ZINC000238197817 572327543 /nfs/dbraw/zinc/32/75/43/572327543.db2.gz HZDNTDHKCWGKKV-UHFFFAOYSA-N -1 0 196.290 3.533 10 0 AHAERM CC1=C(CCCCC(=O)[O-])CCCC1 ZINC000238208448 572337946 /nfs/dbraw/zinc/33/79/46/572337946.db2.gz WEHUJWLZAFDDLK-UHFFFAOYSA-N -1 0 196.290 3.522 10 0 AHAERM CC1=C(CCCCCCCC(=O)[O-])C1 ZINC000238208561 572337828 /nfs/dbraw/zinc/33/78/28/572337828.db2.gz VKHUTLYNBMPTRZ-UHFFFAOYSA-N -1 0 196.290 3.522 10 0 AHAERM CCCC/C(=C\[C@@H](CC)C(=O)[O-])CC ZINC000238233736 572404930 /nfs/dbraw/zinc/40/49/30/572404930.db2.gz QNLUHUHUNMXLJW-DWOQACPDSA-N -1 0 198.306 3.624 10 0 AHAERM CCCC/C(=C\[C@H](CC)C(=O)[O-])CC ZINC000238233750 572404708 /nfs/dbraw/zinc/40/47/08/572404708.db2.gz QNLUHUHUNMXLJW-JUDLJHIGSA-N -1 0 198.306 3.624 10 0 AHAERM CCC/C(=C\C(=O)[O-])CCC=C(C)C ZINC000238266763 573555926 /nfs/dbraw/zinc/55/59/26/573555926.db2.gz PXOTWYYDWUSZKY-PKNBQFBNSA-N -1 0 196.290 3.544 10 0 AHAERM CC[C@H](C)c1ccc(O)c(Cl)c1C ZINC000238280116 573109256 /nfs/dbraw/zinc/10/92/56/573109256.db2.gz PHWBTECATYXBQJ-ZETCQYMHSA-N -1 0 198.693 3.868 10 0 AHAERM Cc1ccc([S-])c(Cl)c1Cl ZINC000238470986 371729225 /nfs/dbraw/zinc/72/92/25/371729225.db2.gz FKKCPRDQMBEBTO-UHFFFAOYSA-N -1 0 193.098 3.591 10 0 AHAERM Cc1ccc(Cl)c(Cl)c1[S-] ZINC000238480073 344808712 /nfs/dbraw/zinc/80/87/12/344808712.db2.gz ZMAGZYCGCILDHX-UHFFFAOYSA-N -1 0 193.098 3.591 10 0 AHAERM Cc1csc2c1ccc([O-])c2Cl ZINC000238554649 573885746 /nfs/dbraw/zinc/88/57/46/573885746.db2.gz GQXZNOGLOMXCMV-UHFFFAOYSA-N -1 0 198.674 3.569 10 0 AHAERM O=C([O-])CCCCC1=CCCCCC1 ZINC000238623868 572334282 /nfs/dbraw/zinc/33/42/82/572334282.db2.gz WDSRGXPRHOPSSV-UHFFFAOYSA-N -1 0 196.290 3.522 10 0 AHAERM O=C([O-])C1=CCCCCCCCCC1 ZINC000254408414 572732537 /nfs/dbraw/zinc/73/25/37/572732537.db2.gz VIOUXKOATDSRRK-UHFFFAOYSA-N -1 0 196.290 3.522 10 0 AHAERM CC(C)c1ccc(SC(=O)[O-])cc1 ZINC000259279908 574026587 /nfs/dbraw/zinc/02/65/87/574026587.db2.gz RREPBVFQTMWSTM-UHFFFAOYSA-N -1 0 196.271 3.580 10 0 AHAERM Oc1c(F)cccc1C1CCCCC1 ZINC000259303963 573001255 /nfs/dbraw/zinc/00/12/55/573001255.db2.gz BRUIPVDBVHVPHD-UHFFFAOYSA-N -1 0 194.249 3.579 10 0 AHAERM CCCCCC/C(C)=C/C=C/C(=O)[O-] ZINC000300759071 571887000 /nfs/dbraw/zinc/88/70/00/571887000.db2.gz NISILUOHUQYUQP-PPZOTWNKSA-N -1 0 196.290 3.544 10 0 AHAERM Cc1c([S-])ccc(Cl)c1Cl ZINC000306711375 345564530 /nfs/dbraw/zinc/56/45/30/345564530.db2.gz XQFIMTQAZKBWST-UHFFFAOYSA-N -1 0 193.098 3.591 10 0 AHAERM Cc1c([S-])c(Cl)ccc1Cl ZINC000307316866 345966506 /nfs/dbraw/zinc/96/65/06/345966506.db2.gz BICCMUFRSVBJEG-UHFFFAOYSA-N -1 0 193.098 3.591 10 0 AHAERM CCCC(=C=CCCC(=O)[O-])CCC ZINC000308276869 573145160 /nfs/dbraw/zinc/14/51/60/573145160.db2.gz POMKRIXJDXDANI-UHFFFAOYSA-N -1 0 196.290 3.533 10 0 AHAERM CCC/C(=C/C(=O)[O-])CCC=C(C)C ZINC000308276897 573142395 /nfs/dbraw/zinc/14/23/95/573142395.db2.gz PXOTWYYDWUSZKY-LUAWRHEFSA-N -1 0 196.290 3.544 10 0 AHAERM CCC=C=C(CCCC)CCC(=O)[O-] ZINC000308277296 573127667 /nfs/dbraw/zinc/12/76/67/573127667.db2.gz QENFTLHDNCACCF-UHFFFAOYSA-N -1 0 196.290 3.533 10 0 AHAERM CCCC/C(=C/[C@@H](CC)C(=O)[O-])CC ZINC000308277370 573126578 /nfs/dbraw/zinc/12/65/78/573126578.db2.gz QNLUHUHUNMXLJW-PBQZMEPESA-N -1 0 198.306 3.624 10 0 AHAERM CCCC/C(=C/[C@H](CC)C(=O)[O-])CC ZINC000308277372 573130545 /nfs/dbraw/zinc/13/05/45/573130545.db2.gz QNLUHUHUNMXLJW-USKTWTLRSA-N -1 0 198.306 3.624 10 0 AHAERM CC(C)C/C=C/CCCCCC(=O)[O-] ZINC000308279534 573135458 /nfs/dbraw/zinc/13/54/58/573135458.db2.gz VWGQZUAKDOFUGD-FNORWQNLSA-N -1 0 198.306 3.624 10 0 AHAERM CCCC/C=C(/CCCC)CC(=O)[O-] ZINC000308357788 573345959 /nfs/dbraw/zinc/34/59/59/573345959.db2.gz UVYKGDVZPNRCLZ-LUAWRHEFSA-N -1 0 198.306 3.768 10 0 AHAERM CCCCCC/C(C)=C/C=C\C(=O)[O-] ZINC000308450920 573832825 /nfs/dbraw/zinc/83/28/25/573832825.db2.gz NISILUOHUQYUQP-PWMCPNNSSA-N -1 0 196.290 3.544 10 0 AHAERM CC(C)(C1=CC=C[CH]1)C1=CCC=C1 ZINC000504312550 526949271 /nfs/dbraw/zinc/94/92/71/526949271.db2.gz RLMPCVRUONUCIM-UHFFFAOYSA-N -1 0 171.263 3.599 10 0 AHAERM Cc1cc([S-])cc(C(F)F)c1C ZINC000575665209 352882293 /nfs/dbraw/zinc/88/22/93/352882293.db2.gz BWEKAYRGSASXSQ-UHFFFAOYSA-N -1 0 188.242 3.530 10 0 AHAERM Cc1cc(C(F)F)cc(C)c1[S-] ZINC000575666001 352882248 /nfs/dbraw/zinc/88/22/48/352882248.db2.gz HPBFJKXCGNLRQX-UHFFFAOYSA-N -1 0 188.242 3.530 10 0 AHAERM Cc1cc([S-])c(C(F)F)cc1C ZINC000575666320 352882478 /nfs/dbraw/zinc/88/24/78/352882478.db2.gz KDQVLZCWIRLKSY-UHFFFAOYSA-N -1 0 188.242 3.530 10 0 AHAERM Cc1cc(C)c(C(F)F)c([S-])c1 ZINC000575667001 352883383 /nfs/dbraw/zinc/88/33/83/352883383.db2.gz NIOQKRAWELUJPY-UHFFFAOYSA-N -1 0 188.242 3.530 10 0 AHAERM Cc1cc(C(F)F)cc([S-])c1C ZINC000575667278 352883190 /nfs/dbraw/zinc/88/31/90/352883190.db2.gz OYWDIJRALQEXAZ-UHFFFAOYSA-N -1 0 188.242 3.530 10 0 AHAERM Cc1cc([S-])c(C)c(C(F)F)c1 ZINC000575667345 352883201 /nfs/dbraw/zinc/88/32/01/352883201.db2.gz POHYUTDMWHHTHG-UHFFFAOYSA-N -1 0 188.242 3.530 10 0 AHAERM Cc1cc([S-])cc(C)c1C(F)F ZINC000575667709 352883206 /nfs/dbraw/zinc/88/32/06/352883206.db2.gz QOQVNKDCXIIPNQ-UHFFFAOYSA-N -1 0 188.242 3.530 10 0 AHAERM Cc1cc(C(F)F)c(C)cc1[S-] ZINC000575668638 352883835 /nfs/dbraw/zinc/88/38/35/352883835.db2.gz WBOACDDEDQCMJS-UHFFFAOYSA-N -1 0 188.242 3.530 10 0 AHAERM Cc1cc(C)c(C(F)F)cc1[S-] ZINC000575668866 352884239 /nfs/dbraw/zinc/88/42/39/352884239.db2.gz XYBSTJXBVSMPMX-UHFFFAOYSA-N -1 0 188.242 3.530 10 0 AHAERM Cc1cc(C)c([S-])c(C(F)F)c1 ZINC000575668955 352884027 /nfs/dbraw/zinc/88/40/27/352884027.db2.gz ZKXAJTODELNJQS-UHFFFAOYSA-N -1 0 188.242 3.530 10 0 AHAERM