smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1C[C@@H]2c3ccccc3O[C@H]3c4ccc(O)cc4-c4c([O-])cc(O)c1c4[C@@H]32 ZINC000043123273 205101259 /nfs/dbraw/zinc/10/12/59/205101259.db2.gz QPKCEEFQPFTYIX-IJIZOXLDSA-N -1 1 372.376 4.371 1 0 FIAFMM CC(=O)CSc1nc(Cc2cccc3ccccc32)c(C(C)C)c(=O)[n-]1 ZINC000026850953 581096536 /nfs/dbraw/zinc/09/65/36/581096536.db2.gz FJMNHTAYPHBUBC-UHFFFAOYSA-N -1 1 366.486 4.318 1 0 FIAFMM O=C([O-])[C@H]1C[C@H](NCc2ccccc2)c2c(Cl)cc(Cl)cc2N1 ZINC000013455329 204531041 /nfs/dbraw/zinc/53/10/41/204531041.db2.gz IHFOCHGLNDPRAQ-DZGCQCFKSA-N -1 1 351.233 4.093 1 0 FIAFMM Cc1[n-]n(-c2nc3ccc(C(C)(C)C)cc3[nH]2)c(=O)c1Cc1ccccc1 ZINC000169330067 206251401 /nfs/dbraw/zinc/25/14/01/206251401.db2.gz OMTJOKFMSSRTDW-UHFFFAOYSA-N -1 1 360.461 4.239 1 0 FIAFMM Cc1c(=O)[n-]c(SC2CCCC2)nc1Cc1c(F)cccc1Cl ZINC000169352178 206253055 /nfs/dbraw/zinc/25/30/55/206253055.db2.gz VJJPAOHSPIZCGX-UHFFFAOYSA-N -1 1 352.862 4.496 1 0 FIAFMM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1 ZINC000006929285 204281982 /nfs/dbraw/zinc/28/19/82/204281982.db2.gz ZHWWTDDEKJJJDC-UHFFFAOYSA-N -1 1 368.458 4.050 1 0 FIAFMM Cc1[nH]c2cc([N-]S(=O)(=O)c3ccccc3)ccc2c1-c1ccncc1 ZINC000036338546 205010919 /nfs/dbraw/zinc/01/09/19/205010919.db2.gz MIVPQDBOVXVFGV-UHFFFAOYSA-N -1 1 363.442 4.339 1 0 FIAFMM CC(C)/C=C/Cc1c([O-])cc(O)c2c1O[C@H](c1ccc(O)cc1)CC2=O ZINC000049089456 205169139 /nfs/dbraw/zinc/16/91/39/205169139.db2.gz XHRMNTNDCDDFQR-RTLBZRNLSA-N -1 1 354.402 4.265 1 0 FIAFMM COc1ccc2c(c1)[nH]c1c2ccnc1C(=O)c1c([O-])[nH]c2ccccc21 ZINC000073295365 205569121 /nfs/dbraw/zinc/56/91/21/205569121.db2.gz KXSXMTWFKGXALP-UHFFFAOYSA-N -1 1 357.369 4.143 1 0 FIAFMM O=C(C=C([O-])C(=O)Nc1ccc(Cl)cc1)c1cccc2ccccc21 ZINC000102962959 222316776 /nfs/dbraw/zinc/31/67/76/222316776.db2.gz CQMDAORAIQQFBN-UHFFFAOYSA-N -1 1 351.789 4.274 1 0 FIAFMM CC1(C)C=Cc2c(cc3occ(-c4ccc5c(c4)OCO5)c([O-])c-3c2=O)O1 ZINC000006050187 560204853 /nfs/dbraw/zinc/20/48/53/560204853.db2.gz KGSSUTVUTPLSQW-UHFFFAOYSA-N -1 1 364.353 4.079 1 0 in-vitro FIAFMM CC1(C)C=Cc2c([O-])c3c(cc2O1)occ(-c1ccc2c(c1)OCO2)c3=O ZINC000006050187 560204855 /nfs/dbraw/zinc/20/48/55/560204855.db2.gz KGSSUTVUTPLSQW-UHFFFAOYSA-N -1 1 364.353 4.079 1 0 in-vitro FIAFMM COc1ccc([C@@H]2CC(=O)c3c(O)cc([O-])c(CC=C(C)C)c3O2)cc1 ZINC000014819314 560226656 /nfs/dbraw/zinc/22/66/56/560226656.db2.gz CTFJUDTWKJHYNX-IBGZPJMESA-N -1 1 354.402 4.322 1 0 in-vitro FIAFMM COc1cc([C@@H]2CC(=O)c3ccc([O-])cc3O2)cc(CC=C(C)C)c1O ZINC000014819254 203883707 /nfs/dbraw/zinc/88/37/07/203883707.db2.gz GZTDFKLABHOHBU-SFHVURJKSA-N -1 1 354.402 4.322 1 0 in-vivo FIAFMM Cn1c(-c2ccc([O-])c(F)c2)nnc1C1(c2ccc(Cl)cc2)CCC1 ZINC000038824230 205042383 /nfs/dbraw/zinc/04/23/83/205042383.db2.gz IHADCYYSVVNWIT-UHFFFAOYSA-N -1 1 357.816 4.450 1 0 FIAFMM Cc1ccc(O)c(C2=Cc3[n-][nH]c(=O)c3[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000102956228 222315714 /nfs/dbraw/zinc/31/57/14/222315714.db2.gz MVTXBXOUQKHDCY-VQIMIIECSA-N -1 1 352.821 4.027 1 0 FIAFMM Cc1cscc1-c1ccc2sc3c([n-]c(CN(C)C)nc3=O)c2c1 ZINC000045303335 205120086 /nfs/dbraw/zinc/12/00/86/205120086.db2.gz ISYNRKKNWPXOCT-UHFFFAOYSA-N -1 1 355.488 4.236 1 0 FIAFMM CCc1ccc(-c2ccc3sc4c([n-]c(CN(C)C)nc4=O)c3c2)cc1 ZINC000045283698 205119318 /nfs/dbraw/zinc/11/93/18/205119318.db2.gz JSOJYCSDBKJYSB-UHFFFAOYSA-N -1 1 363.486 4.429 1 0 FIAFMM O=c1[nH][n-]c2c1[C@H](c1ccc(Cl)cc1)O[C@H](CCc1ccccc1)C2 ZINC000095568076 209080411 /nfs/dbraw/zinc/08/04/11/209080411.db2.gz BOSCNFLCRDLDAA-APWZRJJASA-N -1 1 354.837 4.432 3 0 FIAFMM COc1cc(=O)c2c([O-])cc(-c3ccc(O)cc3O)oc-2c1CC=C(C)C ZINC000001651169 571680769 /nfs/dbraw/zinc/68/07/69/571680769.db2.gz RZVNDYZVNDJBPR-UHFFFAOYSA-N -1 1 368.385 4.094 1 0 endogenous,in-man FIAFMM CCN(C(=O)C(C)C)c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000013682546 220085130 /nfs/dbraw/zinc/08/51/30/220085130.db2.gz QKROGJIOEIMFTC-UHFFFAOYSA-N -1 1 357.294 4.008 1 0 FIAFMM Cc1nc2c3c(cc([O-])c2nc1C)c1c(n3Cc2ccccc2)C(=O)CCC1 ZINC000006520606 207143704 /nfs/dbraw/zinc/14/37/04/207143704.db2.gz HRHGPDZSDMQFSX-UHFFFAOYSA-N -1 1 371.440 4.474 1 0 FIAFMM CS(=O)(=O)c1nc(-c2ccc(Cl)c(Cl)c2)c(-c2ccccc2)[n-]1 ZINC000040639838 208261951 /nfs/dbraw/zinc/26/19/51/208261951.db2.gz OIAVESAJSWVMNW-UHFFFAOYSA-N -1 1 367.257 4.454 1 0 FIAFMM COc1cc([O-])c(CC=C(C)C)c(O)c1C(=O)CCc1ccc(O)cc1 ZINC000013108861 291081612 /nfs/dbraw/zinc/08/16/12/291081612.db2.gz SVTCZHIDEDUTBH-UHFFFAOYSA-N -1 1 356.418 4.136 3 0 endogenous,in-man FIAFMM O=C([O-])c1cccc2nc(-c3cccc4oc(-c5ccccc5O)nc43)[nH]c21 ZINC000103212985 209248520 /nfs/dbraw/zinc/24/85/20/209248520.db2.gz YBYPJPPLRWWWCZ-UHFFFAOYSA-N -1 1 371.352 4.442 1 0 FIAFMM Cc1ccc(O)c(C2=CC3=NNC(=O)[C@@H]3[C@H](c3cccc(Cl)c3)C2)c1 ZINC000102956223 209243893 /nfs/dbraw/zinc/24/38/93/209243893.db2.gz MVTXBXOUQKHDCY-QFBILLFUSA-N -1 1 352.821 4.027 1 0 FIAFMM Cc1ccc(O)c(C2=Cc3[n-][nH]c(=O)c3[C@H](c3cccc(Cl)c3)C2)c1 ZINC000102956223 209243895 /nfs/dbraw/zinc/24/38/95/209243895.db2.gz MVTXBXOUQKHDCY-QFBILLFUSA-N -1 1 352.821 4.027 1 0 FIAFMM O=S(=O)([N-]c1cccc2ncccc12)c1ccc2[nH]c3ccncc3c2c1 ZINC000102328226 209234697 /nfs/dbraw/zinc/23/46/97/209234697.db2.gz UHIJOOAMRRVCOP-UHFFFAOYSA-N -1 1 374.425 4.065 1 0 FIAFMM O=c1[n-]c(=S)[nH]c2c1[C@H](CCc1cccc(Cl)c1)O[C@H](C1CC1)C2 ZINC000095568461 209080800 /nfs/dbraw/zinc/08/08/00/209080800.db2.gz RFZKHTOHKUDOEK-GJZGRUSLSA-N -1 1 362.882 4.111 3 0 FIAFMM Cc1cc(Br)cc(C(=O)Nc2cnc3ccccc3c2)c1[O-] ZINC000064526456 518186325 /nfs/dbraw/zinc/18/63/25/518186325.db2.gz WTRGZQWCALKIIF-UHFFFAOYSA-N -1 1 357.207 4.264 1 0 FIAFMM COc1c(O)cc([C@@H]2CC(=O)c3ccc([O-])cc3O2)cc1CC=C(C)C ZINC000014819250 291081521 /nfs/dbraw/zinc/08/15/21/291081521.db2.gz NGSGHHXJBXTNFJ-IBGZPJMESA-N -1 1 354.402 4.322 1 0 biogenic,in-vitro FIAFMM COc1cc([C@H]2CC(=O)c3ccc([O-])cc3O2)cc(CC=C(C)C)c1O ZINC000014819255 291082060 /nfs/dbraw/zinc/08/20/60/291082060.db2.gz GZTDFKLABHOHBU-GOSISDBHSA-N -1 1 354.402 4.322 1 0 biogenic,in-vitro FIAFMM O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)cn1-c1cc(Cl)ccc1[O-] ZINC000035242369 208121962 /nfs/dbraw/zinc/12/19/62/208121962.db2.gz KWQYZLBWNYNZRO-UHFFFAOYSA-N -1 1 354.715 4.210 1 0 FIAFMM COc1cc(C[C@H]2c3cc(O)c(Cl)cc3CC[N@@H+]2C)c(OC)cc1C ZINC000045229555 208326661 /nfs/dbraw/zinc/32/66/61/208326661.db2.gz ZNSZIIRJGKKCAF-KRWDZBQOSA-N -1 1 361.869 4.143 1 0 FIAFMM Cc1ccccc1NC(=O)c1[n-]c(=S)nc(N)c1-c1ccccc1C ZINC000000644776 570443522 /nfs/dbraw/zinc/44/35/22/570443522.db2.gz PRVJTEBVNBFCRL-UHFFFAOYSA-N -1 1 350.447 4.258 1 0 FIAFMM Cc1ccc(N2C=C(c3ccccc3)[C@H]3c4n[n-]c(=S)n4C=N[C@@H]32)cc1 ZINC000098084926 209205128 /nfs/dbraw/zinc/20/51/28/209205128.db2.gz PISARBHCSOYSAU-QZTJIDSGSA-N -1 1 359.458 4.110 1 0 FIAFMM Oc1ccc(-c2nc(-c3n[n-]c(=S)[nH]3)cc3c4ccccc4[nH]c32)cc1 ZINC000040846807 208273285 /nfs/dbraw/zinc/27/32/85/208273285.db2.gz OVMYOACKXGQUCO-UHFFFAOYSA-N -1 1 359.414 4.163 1 0 FIAFMM Oc1ccc(-c2nc(-c3n[nH]c(=S)[n-]3)cc3c4ccccc4[nH]c32)cc1 ZINC000040846807 208273289 /nfs/dbraw/zinc/27/32/89/208273289.db2.gz OVMYOACKXGQUCO-UHFFFAOYSA-N -1 1 359.414 4.163 1 0 FIAFMM O=C1[N-]C(=O)[C@@H](Cc2ccc(Oc3ncc(Cl)cc3Cl)cc2)S1 ZINC000045337484 208331878 /nfs/dbraw/zinc/33/18/78/208331878.db2.gz QOXHRBDNLQWENQ-GFCCVEGCSA-N -1 1 369.229 4.075 1 0 FIAFMM CC(C)=CCc1c([O-])cc(O)c2c1O[C@@H](c1ccc3c(c1)OCO3)CC2=O ZINC000045496839 208334561 /nfs/dbraw/zinc/33/45/61/208334561.db2.gz BYJHRPCUKQDFRM-GOSISDBHSA-N -1 1 368.385 4.042 1 0 FIAFMM Cc1ccc([O-])c(C(=O)c2ccc(-c3cc4ccccc4oc3=O)nc2)c1 ZINC000098085363 209204948 /nfs/dbraw/zinc/20/49/48/209204948.db2.gz DQGZWAAODURSHH-UHFFFAOYSA-N -1 1 357.365 4.100 1 0 FIAFMM COc1ccc(/C=C2/OC(=O)C=C2c2ccc([O-])c(Br)c2)cc1 ZINC000096903519 209160038 /nfs/dbraw/zinc/16/00/38/209160038.db2.gz RMWGZBOMTPESNY-CAOOACKPSA-N -1 1 373.202 4.145 1 0 FIAFMM O=C(Oc1cc(=O)c2c([O-])cc(-c3ccccc3)oc-2c1)c1ccccc1 ZINC000017729427 220217257 /nfs/dbraw/zinc/21/72/57/220217257.db2.gz JVKHRSMNVBDUPH-UHFFFAOYSA-N -1 1 358.349 4.385 1 0 FIAFMM CCCC[C@@H]1Cc2[nH]c(=S)[n-]c(=O)c2[C@H](c2ccc(Cl)cc2)O1 ZINC000095598747 209085059 /nfs/dbraw/zinc/08/50/59/209085059.db2.gz KTAIDOJORCYDTH-DOMZBBRYSA-N -1 1 350.871 4.307 3 0 FIAFMM Cc1c(Cc2c(F)cccc2F)nc(SCc2ccccc2)[n-]c1=O ZINC000040917720 211764711 /nfs/dbraw/zinc/76/47/11/211764711.db2.gz JQUYFAXHTFONIJ-UHFFFAOYSA-N -1 1 358.413 4.240 1 0 FIAFMM O=C([N-][C@H]1CCCN2c3ccccc3Oc3ccccc3[C@H]12)C(F)(F)F ZINC000029037444 136153640 /nfs/dbraw/zinc/15/36/40/136153640.db2.gz LSXNTASPFDFMDK-SUMWQHHRSA-N -1 1 362.351 4.181 1 0 FIAFMM Cc1ccc(O)c(C2=Cc3[n-][nH]c(=O)c3[C@H](c3cccc(Cl)c3)C2)c1 ZINC000102956225 222314763 /nfs/dbraw/zinc/31/47/63/222314763.db2.gz MVTXBXOUQKHDCY-LPHOPBHVSA-N -1 1 352.821 4.027 1 0 FIAFMM O=C1[N-]C(=O)C(=Cc2ccc(OCCn3ccc4ccccc43)cc2)S1 ZINC000029347223 210242462 /nfs/dbraw/zinc/24/24/62/210242462.db2.gz MZKMQFJQCKWJRD-AQTBWJFISA-N -1 1 364.426 4.044 1 0 FIAFMM C[C@H](c1ccccc1)c1ccc2sc3c([n-]c(CN(C)C)nc3=O)c2c1 ZINC000045285112 211813488 /nfs/dbraw/zinc/81/34/88/211813488.db2.gz LMKPQMOEIJCWGT-CYBMUJFWSA-N -1 1 363.486 4.351 1 0 FIAFMM CCCN(C(=O)C(C)C)c1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1 ZINC000013682550 211049488 /nfs/dbraw/zinc/04/94/88/211049488.db2.gz PTWCKMHWFHZZCQ-UHFFFAOYSA-N -1 1 371.321 4.398 1 0 FIAFMM CCCCOc1cc(=O)c2c([O-])cc(-c3ccc4c(c3)OCCO4)oc-2c1 ZINC000096273316 222107598 /nfs/dbraw/zinc/10/75/98/222107598.db2.gz NIQKIKPMFAZZRN-UHFFFAOYSA-N -1 1 368.385 4.116 1 0 FIAFMM CCCCOc1cc([O-])c2c(=O)cc(-c3ccc4c(c3)OCCO4)oc2c1 ZINC000096273316 222107602 /nfs/dbraw/zinc/10/76/02/222107602.db2.gz NIQKIKPMFAZZRN-UHFFFAOYSA-N -1 1 368.385 4.116 1 0 FIAFMM Cc1ccc(N2C=C(c3ccccc3)[C@@H]3c4n[n-]c(=S)n4C=N[C@@H]32)cc1 ZINC000098084927 222227639 /nfs/dbraw/zinc/22/76/39/222227639.db2.gz PISARBHCSOYSAU-ZWKOTPCHSA-N -1 1 359.458 4.110 1 0 FIAFMM Cc1ccc(N2C=C(c3ccccc3)[C@@H]3c4n[n-]c(=S)n4C=N[C@H]32)cc1 ZINC000098084929 222227762 /nfs/dbraw/zinc/22/77/62/222227762.db2.gz PISARBHCSOYSAU-ROUUACIJSA-N -1 1 359.458 4.110 1 0 FIAFMM Cn1c2cnc1O[N-]C(=O)CCCCCCCCCOc1ccccc1-2 ZINC000103244449 222327478 /nfs/dbraw/zinc/32/74/78/222327478.db2.gz SDJYAZMSSOETBA-UHFFFAOYSA-N -1 1 357.454 4.010 1 0 FIAFMM O=c1[nH]c2ccc(Br)cc2c2nc(-c3ccccc3Cl)[n-]c21 ZINC000096270729 222107082 /nfs/dbraw/zinc/10/70/82/222107082.db2.gz ZBUKSUSOANBWHJ-UHFFFAOYSA-N -1 1 374.625 4.487 1 0 FIAFMM O=c1[nH]c2ccc(Br)cc2c2[n-]c(-c3ccccc3Cl)nc21 ZINC000096270729 222107085 /nfs/dbraw/zinc/10/70/85/222107085.db2.gz ZBUKSUSOANBWHJ-UHFFFAOYSA-N -1 1 374.625 4.487 1 0 FIAFMM C[C@H](c1cccc2ccccc21)n1c([O-])cc(=O)n(C2CCCC2)c1=O ZINC000101678085 222281112 /nfs/dbraw/zinc/28/11/12/222281112.db2.gz FAVQHQUCWSUTEZ-CQSZACIVSA-N -1 1 350.418 4.024 1 0 FIAFMM O=[P@@]([O-])(O)[C@H](O)c1cccc(-c2cccc(C3CCCCC3)c2O)c1 ZINC000096285006 222111473 /nfs/dbraw/zinc/11/14/73/222111473.db2.gz LOLLSFQJSJUGKS-IBGZPJMESA-N -1 1 362.362 4.276 1 0 FIAFMM COc1ccc(-c2coc3cc4c(c(=O)c-3c2[O-])C=CC(C)(C)O4)cc1 ZINC000013311944 560214267 /nfs/dbraw/zinc/21/42/67/560214267.db2.gz QJSPPBAASCPSJB-UHFFFAOYSA-N -1 1 350.370 4.358 1 0 biogenic,in-vitro FIAFMM O=[P@@]([O-])(O)[C@@H](O)c1cccc(-c2cccc(C3CCCCC3)c2O)c1 ZINC000096285007 222110335 /nfs/dbraw/zinc/11/03/35/222110335.db2.gz LOLLSFQJSJUGKS-LJQANCHMSA-N -1 1 362.362 4.276 1 0 FIAFMM CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[n-]c(=O)c1[C@@H]2c1ccccc1 ZINC000100640710 222248657 /nfs/dbraw/zinc/24/86/57/222248657.db2.gz JKEIZUIFYTZPDD-CYBMUJFWSA-N -1 1 353.447 4.321 1 0 FIAFMM CNc1c2nc(-c3ccc(OC)cc3)[nH]c2ncc1-c1ccc(C(=O)[O-])cc1 ZINC000103248092 222327882 /nfs/dbraw/zinc/32/78/82/222327882.db2.gz GHLLIWFJENEFSB-UHFFFAOYSA-N -1 1 374.400 4.040 1 0 FIAFMM O=c1c2c[n-]c3cc(OCc4ccccc4)ccc3c-2nn1-c1ccccc1 ZINC000013740700 211057104 /nfs/dbraw/zinc/05/71/04/211057104.db2.gz NMUDIPITESHDMI-UHFFFAOYSA-N -1 1 367.408 4.446 1 0 FIAFMM CCSc1nc2c(c(=O)[n-]1)[C@H](c1cccs1)C(C(=O)OC)=C(C)N2 ZINC000013147144 211026029 /nfs/dbraw/zinc/02/60/29/211026029.db2.gz PEJUFXBTQZXJLD-HGLKBHAMSA-N -1 1 363.464 4.010 1 0 aggregator FIAFMM CCc1c(=O)[n-]c(=S)n(OC2CCCCC2)c1Sc1ccccc1 ZINC000098085567 222227959 /nfs/dbraw/zinc/22/79/59/222227959.db2.gz MJRAXKHVOXMLRR-UHFFFAOYSA-N -1 1 362.520 4.381 1 0 FIAFMM COc1ccc(-c2ncnc(C(F)(F)F)c2-c2csc(C)n2)c([O-])c1 ZINC000013125676 220059052 /nfs/dbraw/zinc/05/90/52/220059052.db2.gz TUIMTUVNMKAOQE-UHFFFAOYSA-N -1 1 367.352 4.309 1 0 FIAFMM CC(C)/C=C/Cc1c([O-])cc(O)c2c1O[C@@H](c1ccc(O)cc1)CC2=O ZINC000049089457 221019279 /nfs/dbraw/zinc/01/92/79/221019279.db2.gz XHRMNTNDCDDFQR-GNAXCBTBSA-N -1 1 354.402 4.265 1 0 FIAFMM O=c1nc(CN2CCCC2)[n-]c2cc(-c3c[nH]c4ccccc34)sc21 ZINC000096909537 222138154 /nfs/dbraw/zinc/13/81/54/222138154.db2.gz QDGJBMGYYWONTM-UHFFFAOYSA-N -1 1 350.447 4.141 1 0 FIAFMM Cc1ccc(O)c(C2=Cc3[n-][nH]c(=O)c3[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000102956230 222315369 /nfs/dbraw/zinc/31/53/69/222315369.db2.gz MVTXBXOUQKHDCY-APWZRJJASA-N -1 1 352.821 4.027 1 0 FIAFMM CCc1c(=O)[n-]c(=S)n(OCc2ccccc2)c1Sc1ccccc1 ZINC000098083827 222226522 /nfs/dbraw/zinc/22/65/22/222226522.db2.gz LITVKOIVVRLAGB-UHFFFAOYSA-N -1 1 370.499 4.248 1 0 FIAFMM COc1c(O)cc([C@@H]2CC(=O)c3c(O)cc([O-])cc3C2)cc1CC=C(C)C ZINC000095918663 291081037 /nfs/dbraw/zinc/08/10/37/291081037.db2.gz TXFYGVSFMUHNGL-HNNXBMFYSA-N -1 1 368.429 4.233 1 0 biogenic,in-vitro FIAFMM COc1cc([C@H]2CC(=O)c3ccc([O-])cc3O2)cc(CCC(C)C)c1O ZINC000095486048 291082053 /nfs/dbraw/zinc/08/20/53/291082053.db2.gz XZHAZHRCVXNUJR-GOSISDBHSA-N -1 1 356.418 4.402 1 0 biogenic,in-vitro FIAFMM CCSc1nc2c(c(=O)[n-]1)[C@@H](c1cccs1)C(C(=O)OC)=C(C)N2 ZINC000013147143 220060347 /nfs/dbraw/zinc/06/03/47/220060347.db2.gz PEJUFXBTQZXJLD-KBVGCWLLSA-N -1 1 363.464 4.010 1 0 aggregator FIAFMM Cc1ccccc1S(=O)(=O)Nc1cc(C(=O)[O-])sc1-c1ccccc1 ZINC000013589567 220077260 /nfs/dbraw/zinc/07/72/60/220077260.db2.gz AGFCJQHTXPTLBM-UHFFFAOYSA-N -1 1 373.455 4.223 1 0 FIAFMM CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[n-]c(=O)c1[C@H]2c1ccccc1 ZINC000100640709 222249239 /nfs/dbraw/zinc/24/92/39/222249239.db2.gz JKEIZUIFYTZPDD-ZDUSSCGKSA-N -1 1 353.447 4.321 1 0 FIAFMM CC1(COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(=O)C=C([O-])C1 ZINC000102895054 222313256 /nfs/dbraw/zinc/31/32/56/222313256.db2.gz SAXDJPVVQNFQET-UHFFFAOYSA-N -1 1 368.273 4.431 1 0 FIAFMM Cc1c(=O)[n-]c(SC2CCCCC2)nc1Cc1c(F)cccc1F ZINC000013556549 220073424 /nfs/dbraw/zinc/07/34/24/220073424.db2.gz NZDLBBJYDRLQCG-UHFFFAOYSA-N -1 1 350.434 4.372 1 0 FIAFMM Cc1cc(-c2ccc(C)c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)c2)n[nH]1 ZINC000021917489 220371302 /nfs/dbraw/zinc/37/13/02/220371302.db2.gz QFLXCKKJOZRUHQ-UHFFFAOYSA-N -1 1 355.463 4.111 1 0 FIAFMM COc1ccc(-c2coc3cc4c(c(=O)c-3c2[O-])C=CC(C)(C)O4)cc1O ZINC000013311974 291082179 /nfs/dbraw/zinc/08/21/79/291082179.db2.gz XEOFUBPZBRENSE-UHFFFAOYSA-N -1 1 366.369 4.064 1 0 biogenic,in-vitro FIAFMM COc1ccc(-c2coc3cc4c(c([O-])c3c2=O)C=CC(C)(C)O4)cc1O ZINC000013311974 291082181 /nfs/dbraw/zinc/08/21/81/291082181.db2.gz XEOFUBPZBRENSE-UHFFFAOYSA-N -1 1 366.369 4.064 1 0 biogenic,in-vitro FIAFMM [O-]c1ccc(-c2nc3cc(O)cc(/C=C/Br)c3o2)c(F)c1 ZINC000013583704 220077352 /nfs/dbraw/zinc/07/73/52/220077352.db2.gz XOEIPMPQNNQRFN-ONEGZZNKSA-N -1 1 350.143 4.411 1 0 FIAFMM Cc1ccc(N2C=C(c3ccccc3)[C@H]3c4n[n-]c(=S)n4C=N[C@H]32)cc1 ZINC000098084928 222227777 /nfs/dbraw/zinc/22/77/77/222227777.db2.gz PISARBHCSOYSAU-MSOLQXFVSA-N -1 1 359.458 4.110 1 0 FIAFMM