smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1Cl)c1ccccc1 ZINC000000944044 570464749 /nfs/dbraw/zinc/46/47/49/570464749.db2.gz BQZKHPFZSKTMOX-UHFFFAOYSA-N 0 2 352.626 4.153 50 10 FICALN Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2Cl)cc1 ZINC000001232927 570495742 /nfs/dbraw/zinc/49/57/42/570495742.db2.gz OQDKJHNFJNVPTA-UHFFFAOYSA-N 0 2 366.653 4.462 50 10 FICALN CC1=NN(c2ccc(C)cc2)C(=O)C1C=Nc1ccc([N+](=O)[O-])cc1Cl ZINC000100922875 570800658 /nfs/dbraw/zinc/80/06/58/570800658.db2.gz MOORQSLDDMPHRU-GDNBJRDFSA-N 0 2 370.796 4.275 50 10 FICALN COc1cccc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c1 ZINC000033316253 571232958 /nfs/dbraw/zinc/23/29/58/571232958.db2.gz QZRAKMKISOICHV-UVTDQMKNSA-N 0 2 370.792 4.164 50 10 FICALN CCOc1ccc(-c2c3cc(O)c(O)cc3oc3cc(=O)c(O)cc2-3)cc1 ZINC000004894119 1086344985 /nfs/dbraw/zinc/34/49/85/1086344985.db2.gz FCOODAKSLRQBIM-UHFFFAOYSA-N 0 2 364.353 4.080 50 10 FICALN CCC(=Nc1ccc(OC)cc1OC)c1c(C)[nH]n(-c2ccccc2)c1=O ZINC000004982752 204182559 /nfs/dbraw/zinc/18/25/59/204182559.db2.gz MKGLVNNJLQTJSJ-JZJYNLBNSA-N 0 2 365.433 4.203 50 10 FICALN CC(Nc1cccnc1)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000009061220 204353425 /nfs/dbraw/zinc/35/34/25/204353425.db2.gz XNAJRGBTSHGXHV-SILNSSARSA-N 0 2 354.413 4.219 50 10 FICALN CC(=Nc1cccnc1)c1c(=O)n(-c2ccccc2)[nH]c1-c1ccccc1 ZINC000009061220 204353430 /nfs/dbraw/zinc/35/34/30/204353430.db2.gz XNAJRGBTSHGXHV-SILNSSARSA-N 0 2 354.413 4.219 50 10 FICALN O=S(=O)(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccccc1F ZINC000007505350 206244443 /nfs/dbraw/zinc/24/44/43/206244443.db2.gz OANWVNHMXOBNKN-UHFFFAOYSA-N 0 2 370.377 4.028 50 10 FICALN CC1=NN(c2ccc(Cl)cc2)C(=O)C1C=Nc1ccc(C)cc1[N+](=O)[O-] ZINC000101346588 570819393 /nfs/dbraw/zinc/81/93/93/570819393.db2.gz GTFCHLYSHSBTGU-GDNBJRDFSA-N 0 2 370.796 4.275 50 10 FICALN O=S(=O)(Nc1ccc(O)c(Cl)c1)c1cc(Cl)ccc1Cl ZINC000001213471 206226830 /nfs/dbraw/zinc/22/68/30/206226830.db2.gz ZSGFWEYYSDMTEJ-UHFFFAOYSA-N 0 2 352.626 4.153 50 10 FICALN Nc1ccc(Nc2c(C(=O)[O-])c[nH+]c3ccc(Br)cc32)cc1 ZINC000019795551 206326757 /nfs/dbraw/zinc/32/67/57/206326757.db2.gz SSDCIUOCGMDBTM-UHFFFAOYSA-N 0 2 358.195 4.021 50 10 FICALN CC1=NN(c2cccc(Cl)c2)C(=O)C1C=Nc1ccc(C)cc1[N+](=O)[O-] ZINC000100044376 570485109 /nfs/dbraw/zinc/48/51/09/570485109.db2.gz UUYMATCIACNZEX-XNTDXEJSSA-N 0 2 370.796 4.275 50 10 FICALN CC(=Nc1cccc(C)n1)c1c(C)[nH]n(-c2nc3ccccc3s2)c1=O ZINC000100422655 570503949 /nfs/dbraw/zinc/50/39/49/570503949.db2.gz ZJBOJUPRRGNFBR-ATVHPVEESA-N 0 2 363.446 4.108 50 10 FICALN O=C1c2ccccc2C(=O)c2c(OC(=S)Nc3ccccc3)cccc21 ZINC000075278496 571159495 /nfs/dbraw/zinc/15/94/95/571159495.db2.gz BRXWUVMMHRQZRS-UHFFFAOYSA-N 0 2 359.406 4.238 50 10 FICALN Oc1ccc(-c2c3c[nH]nc3nc3c4ccc(O)c(O)c4oc32)cc1Cl ZINC000218275226 206369005 /nfs/dbraw/zinc/36/90/05/206369005.db2.gz RKXZUAACMBGKBZ-UHFFFAOYSA-N 0 2 367.748 4.295 50 10 FICALN CC1=NN(c2ccc(C)cc2)C(=O)C1C=Nc1cc([N+](=O)[O-])ccc1Cl ZINC000100031292 570483042 /nfs/dbraw/zinc/48/30/42/570483042.db2.gz YQFUFYAAGTVVII-XNTDXEJSSA-N 0 2 370.796 4.275 50 10 FICALN CC(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000004704573 570602361 /nfs/dbraw/zinc/60/23/61/570602361.db2.gz QDVHPGSEJXYTHN-GZTJUZNOSA-N 0 2 368.820 4.130 50 10 FICALN Cc1cccc(N2C(=O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)SC2=S)c1 ZINC000013533483 570778742 /nfs/dbraw/zinc/77/87/42/570778742.db2.gz ZAKFYJGIJPHMIX-OQLLNIDSSA-N 0 2 372.427 4.015 50 10 FICALN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1cc(Cl)ccc1O ZINC000016312154 570854287 /nfs/dbraw/zinc/85/42/87/570854287.db2.gz KZNAGJJLGIUXCZ-MHWRWJLKSA-N 0 2 355.825 4.381 50 10 FICALN Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1cc(Cl)ccc1O ZINC000016312154 570854288 /nfs/dbraw/zinc/85/42/88/570854288.db2.gz KZNAGJJLGIUXCZ-MHWRWJLKSA-N 0 2 355.825 4.381 50 10 FICALN O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(Cl)cc1Cl ZINC000033340905 571236601 /nfs/dbraw/zinc/23/66/01/571236601.db2.gz NSZBJBXJIUVCEX-MLPAPPSSSA-N 0 2 367.619 4.108 50 10 FICALN COc1ccc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)c1 ZINC000033342708 571236607 /nfs/dbraw/zinc/23/66/07/571236607.db2.gz YLHDBNHFGNMILQ-WQRHYEAKSA-N 0 2 364.401 4.127 50 10 FICALN Cc1ccc(N2C(=O)NC(=O)C(=Cc3c[nH]c4ccccc34)C2=O)cc1C ZINC000020219064 571328632 /nfs/dbraw/zinc/32/86/32/571328632.db2.gz LUAPMMLSCLAOBR-YVLHZVERSA-N 0 2 359.385 4.291 50 10 FICALN O=S(=O)(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(F)cc1F ZINC000057720294 205244894 /nfs/dbraw/zinc/24/48/94/205244894.db2.gz DTSBYQYCHKMBSZ-UHFFFAOYSA-N 0 2 370.377 4.028 50 10 FICALN Cc1[nH]c2ccccc2c1C=C1C(=O)NC(=O)N(c2ccccc2F)C1=O ZINC000038166493 136118583 /nfs/dbraw/zinc/11/85/83/136118583.db2.gz KDIXTUAJBLEJCV-UVTDQMKNSA-N 0 2 363.348 4.122 50 10 FICALN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3cc4ccccc4[nH]3)C2=O)c1 ZINC000033247516 568471696 /nfs/dbraw/zinc/47/16/96/568471696.db2.gz ALKZYWZUYXVGDP-BOPFTXTBSA-N 0 2 359.385 4.291 50 10 FICALN Cc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000033351501 568498910 /nfs/dbraw/zinc/49/89/10/568498910.db2.gz XGSRWOWWBORREK-DHDCSXOGSA-N 0 2 354.793 4.464 50 10 FICALN CC(=O)c1sc(NS(=O)(=O)c2ccc(C)cc2)nc1-c1ccccc1 ZINC000002659344 204050347 /nfs/dbraw/zinc/05/03/47/204050347.db2.gz MFFPKWAHHUCAIA-UHFFFAOYSA-N 0 2 372.471 4.122 50 10 FICALN O=[N+]([O-])c1ccc(O)c(C2N(c3ccccc3)CCN2c2ccccc2)c1 ZINC000036008094 205001062 /nfs/dbraw/zinc/00/10/62/205001062.db2.gz HZBXMIHYLIPDSH-UHFFFAOYSA-N 0 2 361.401 4.326 50 10 FICALN O=c1oc2c(cc(Cl)c([O-])c2CNc2cccc[nH+]2)c2c1CCCC2 ZINC000013654027 570782622 /nfs/dbraw/zinc/78/26/22/570782622.db2.gz GNBXLZSNJIMRNY-UHFFFAOYSA-N 0 2 356.809 4.038 50 10 FICALN CC1=NN(c2ccccc2)C(=O)C1C=Nc1ccc(Br)cc1F ZINC000044827003 570900006 /nfs/dbraw/zinc/90/00/06/570900006.db2.gz HIALCZFZWWLQHC-UVTDQMKNSA-N 0 2 374.213 4.307 50 10 FICALN CCN(CC)c1ccc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000015009136 570828917 /nfs/dbraw/zinc/82/89/17/570828917.db2.gz MYRKLVZIUAHQBN-JXAWBTAJSA-N 0 2 363.417 4.040 50 10 FICALN O=S(=O)(Nc1nc(-c2ccccc2Cl)cs1)c1cccc(F)c1 ZINC000006800744 571247225 /nfs/dbraw/zinc/24/72/25/571247225.db2.gz RDDRSRNKEVILTF-UHFFFAOYSA-N 0 2 368.842 4.403 50 10 FICALN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1cc(Cl)ccc1O ZINC000100499923 209214445 /nfs/dbraw/zinc/21/44/45/209214445.db2.gz KZNAGJJLGIUXCZ-YBEGLDIGSA-N 0 2 355.825 4.381 50 10 FICALN Cc1[nH]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1cc(Cl)ccc1O ZINC000100499923 209214448 /nfs/dbraw/zinc/21/44/48/209214448.db2.gz KZNAGJJLGIUXCZ-YBEGLDIGSA-N 0 2 355.825 4.381 50 10 FICALN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(C(C)C)cc3)C2=O)c1 ZINC000004209065 132386563 /nfs/dbraw/zinc/38/65/63/132386563.db2.gz YHNMDTOIAMTODB-XDHOZWIPSA-N 0 2 362.429 4.093 50 10 FICALN COc1ccc([C@@H]2CC(c3cc(Cl)cc(Cl)c3O)=NN2)c(OC)c1 ZINC000001447888 571112966 /nfs/dbraw/zinc/11/29/66/571112966.db2.gz DGHSWKDVGKZHKR-AWEZNQCLSA-N 0 2 367.232 4.155 50 10 FICALN Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1 ZINC000002726543 571340663 /nfs/dbraw/zinc/34/06/63/571340663.db2.gz GMJGUKBULGLOCH-UHFFFAOYSA-N 0 2 366.414 4.198 50 10 FICALN Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(Cl)cc3)n2)o1 ZINC000007814456 207208507 /nfs/dbraw/zinc/20/85/07/207208507.db2.gz OZCOTKMFTPLFNV-UHFFFAOYSA-N 0 2 354.840 4.166 50 10 FICALN Cc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000008856535 132260563 /nfs/dbraw/zinc/26/05/63/132260563.db2.gz XGSRWOWWBORREK-OQLLNIDSSA-N 0 2 354.793 4.464 50 10 FICALN CC[C@H](C)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)cc3)C2=O)cc1 ZINC000008738614 536021248 /nfs/dbraw/zinc/02/12/48/536021248.db2.gz HJOAALSAUPPTII-CYUIRQCWSA-N 0 2 364.401 4.412 50 10 FICALN CC(C)c1cccc(C(C)C)c1NS(=O)(=O)c1cccc2nonc21 ZINC000013948591 570799043 /nfs/dbraw/zinc/79/90/43/570799043.db2.gz OCRMTIMIHFNBEF-UHFFFAOYSA-N 0 2 359.451 4.270 50 10 FICALN CCCN1C(=O)C2(CCCCC2)N[C@H]1c1cc(Cl)cc(Cl)c1O ZINC000078594922 571212373 /nfs/dbraw/zinc/21/23/73/571212373.db2.gz SFSBSVKDYLHKRZ-OAHLLOKOSA-N 0 2 357.281 4.242 50 10 FICALN C[NH+](C)c1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(F)cc2)cc1 ZINC000001134563 219377836 /nfs/dbraw/zinc/37/78/36/219377836.db2.gz YNNVFVAXQUHLOV-UHFFFAOYSA-N 0 2 352.409 4.367 50 10 FICALN O=S(=O)(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccccc1F ZINC000006588882 207147369 /nfs/dbraw/zinc/14/73/69/207147369.db2.gz RYQBGRMOGHZULE-UHFFFAOYSA-N 0 2 374.871 4.465 50 10 FICALN Cc1cccc(N2C(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)SC2=S)c1 ZINC000015357266 207552431 /nfs/dbraw/zinc/55/24/31/207552431.db2.gz ZAKFYJGIJPHMIX-DHDCSXOGSA-N 0 2 372.427 4.015 50 10 FICALN CCc1ccc(N2C(=O)NC(=O)C(=Cc3c[nH]c4ccccc34)C2=O)cc1 ZINC000001251402 132381451 /nfs/dbraw/zinc/38/14/51/132381451.db2.gz SMQMXPSEQZXSRS-GZTJUZNOSA-N 0 2 359.385 4.237 50 10 FICALN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cn(C)c4ccccc34)C2=O)c(C)c1 ZINC000008742877 570686684 /nfs/dbraw/zinc/68/66/84/570686684.db2.gz VMTMCUDJRRCPTL-GZTJUZNOSA-N 0 2 373.412 4.302 50 10 FICALN COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000017027322 570864937 /nfs/dbraw/zinc/86/49/37/570864937.db2.gz NUBAYSQLCONZRU-OQLLNIDSSA-N 0 2 370.792 4.164 50 10 FICALN O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Cl)cc1 ZINC000000686960 206825734 /nfs/dbraw/zinc/82/57/34/206825734.db2.gz BUJGGQOYYNWNTM-KPKJPENVSA-N 0 2 367.619 4.108 50 10 FICALN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cn(C)c4ccccc34)C2=O)cc1C ZINC000001261586 132252496 /nfs/dbraw/zinc/25/24/96/132252496.db2.gz AOBRNIQOWVNRKI-WOJGMQOQSA-N 0 2 373.412 4.302 50 10 FICALN CCOc1ccc(N2C(=O)NC(=O)C(=CC=Cc3ccccc3)C2=O)cc1 ZINC000008994824 132260585 /nfs/dbraw/zinc/26/05/85/132260585.db2.gz VUYZEDYDSXOJNK-CVCOPPNTSA-N 0 2 362.385 4.148 50 10 FICALN O=C1NC(=O)N(c2ccccc2)C(=O)C1=CCc1ccc2ccccc2n1 ZINC000020033055 571327857 /nfs/dbraw/zinc/32/78/57/571327857.db2.gz HMVMIEFERIDYRM-AYCYWLMJSA-N 0 2 357.369 4.059 50 10 FICALN O=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)c1cc(F)ccc1Cl ZINC000095980895 571333413 /nfs/dbraw/zinc/33/34/13/571333413.db2.gz CJQGBTGJNSBTIQ-UHFFFAOYSA-N 0 2 370.616 4.292 50 10 FICALN O=C1NC(=O)N(c2cccc3ccccc32)C(=O)C1=CC=Cc1ccco1 ZINC000008971638 132260702 /nfs/dbraw/zinc/26/07/02/132260702.db2.gz CSYQYMDPRNTYLY-BJXWFGTRSA-N 0 2 358.353 4.496 50 10 FICALN O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1ccc(Cl)cc1 ZINC000000754467 570454876 /nfs/dbraw/zinc/45/48/76/570454876.db2.gz UBUFPUJTIFHPPG-UHFFFAOYSA-N 0 2 350.852 4.264 50 10 FICALN O=C1NC(=O)N(c2ccccc2F)C(=O)C1=Cc1cccc2ccccc12 ZINC000016994750 570864486 /nfs/dbraw/zinc/86/44/86/570864486.db2.gz ZMJLZZQHKHFDCY-VBKFSLOCSA-N 0 2 360.344 4.486 50 10 FICALN CCOC(=O)c1ccccc1N=NC1C(=O)N(c2ccccc2)N=C1C ZINC000252625883 571288923 /nfs/dbraw/zinc/28/89/23/571288923.db2.gz QRIGMXYNGSXJIH-UHFFFAOYSA-N 0 2 350.378 4.478 50 10 FICALN COc1ccc([C@H]2CC(c3cc(Cl)cc(Cl)c3O)=NN2)c(OC)c1 ZINC000001447887 210225437 /nfs/dbraw/zinc/22/54/37/210225437.db2.gz DGHSWKDVGKZHKR-CQSZACIVSA-N 0 2 367.232 4.155 50 10 FICALN Cc1ccc(S(=O)(=O)Nc2c(C)c(Cl)c(O)c(Cl)c2C)cc1 ZINC000000823281 219326911 /nfs/dbraw/zinc/32/69/11/219326911.db2.gz BUDMRIYKISQLLC-UHFFFAOYSA-N 0 2 360.262 4.425 50 10 FICALN Nc1[nH]n2c(nc(-c3ccccc3)cc2=O)c1N=Nc1cccc(Cl)c1 ZINC000004649655 570598468 /nfs/dbraw/zinc/59/84/68/570598468.db2.gz FTVYPSDFAWJYJX-GHVJWSGMSA-N 0 2 364.796 4.341 50 10 FICALN Cc1[nH]c2ccccc2c1C=C1C(=O)NC(=O)N(c2ccc(C)cc2)C1=O ZINC000008995077 571090169 /nfs/dbraw/zinc/09/01/69/571090169.db2.gz FUPNPRPUQYWQEA-GZTJUZNOSA-N 0 2 359.385 4.291 50 10 FICALN O=S(=O)(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(F)cc1 ZINC000002654766 571340181 /nfs/dbraw/zinc/34/01/81/571340181.db2.gz FRPVBGKVPNZFAT-UHFFFAOYSA-N 0 2 368.842 4.403 50 10 FICALN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3C(C)(C)C)C2=O)cc1 ZINC000002813024 132384037 /nfs/dbraw/zinc/38/40/37/132384037.db2.gz NWTDTZKLVXAJLE-FOWTUZBSSA-N 0 2 351.406 4.058 50 10 FICALN CC[C@@H](C)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)cc3)C2=O)cc1 ZINC000008738613 570686609 /nfs/dbraw/zinc/68/66/09/570686609.db2.gz HJOAALSAUPPTII-FDIDITGRSA-N 0 2 364.401 4.412 50 10 FICALN CC1=NN(c2ccccc2C)C(=O)C1C=Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000101141018 570817103 /nfs/dbraw/zinc/81/71/03/570817103.db2.gz HJLDUNMLYJNNFC-GXDHUFHOSA-N 0 2 370.796 4.275 50 10 FICALN CC(C)c1ccc(N2C(=O)NC(=O)C(=Cc3nc4ccccc4[nH]3)C2=O)cc1 ZINC000008973201 571085852 /nfs/dbraw/zinc/08/58/52/571085852.db2.gz URGFAYKOSFKMEU-PTNGSMBKSA-N 0 2 374.400 4.193 50 10 FICALN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1cc(Cl)ccc1O ZINC000015134524 211123978 /nfs/dbraw/zinc/12/39/78/211123978.db2.gz CBOBSNRSPFNPPD-ZROIWOOFSA-N 0 2 362.216 4.418 50 10 FICALN Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1cc(Cl)ccc1O ZINC000015134524 211123980 /nfs/dbraw/zinc/12/39/80/211123980.db2.gz CBOBSNRSPFNPPD-ZROIWOOFSA-N 0 2 362.216 4.418 50 10 FICALN O=[N+]([O-])c1ccc(O)c([C@H]2Nc3ccccc3-c3nc4ccccc4n32)c1 ZINC000001316234 210341536 /nfs/dbraw/zinc/34/15/36/210341536.db2.gz WZQOEGSHGIETJO-FQEVSTJZSA-N 0 2 358.357 4.290 50 10 FICALN Cc1cccc(N2C(=O)NC(=O)C(=Cc3cccn3C(C)(C)C)C2=O)c1 ZINC000001157321 132380572 /nfs/dbraw/zinc/38/05/72/132380572.db2.gz YANSUBMIEBJALF-FOWTUZBSSA-N 0 2 351.406 4.058 50 10 FICALN COc1ccc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)c2ccccc12 ZINC000051186502 136124081 /nfs/dbraw/zinc/12/40/81/136124081.db2.gz DAOXUZROMYNSRE-QGOAFFKASA-N 0 2 372.380 4.355 50 10 FICALN Cc1ccc(C)c(N2C(=O)NC(=O)C(=Cc3ccc(O)c(Cl)c3)C2=O)c1 ZINC000034234785 570658956 /nfs/dbraw/zinc/65/89/56/570658956.db2.gz QNNYCICXXFUTTR-JYRVWZFOSA-N 0 2 370.792 4.169 50 10 FICALN O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(Cl)cc1 ZINC000033334449 571235998 /nfs/dbraw/zinc/23/59/98/571235998.db2.gz BUJGGQOYYNWNTM-GHXNOFRVSA-N 0 2 367.619 4.108 50 10 FICALN COc1ccc([C@@H]2CC(c3cc(Cl)cc(Cl)c3O)=NN2)cc1OC ZINC000001447877 210224887 /nfs/dbraw/zinc/22/48/87/210224887.db2.gz LWXZANQZYNHAEA-ZDUSSCGKSA-N 0 2 367.232 4.155 50 10 FICALN Cc1ccc(N2C(=O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)SC2=S)cc1 ZINC000013546309 211038743 /nfs/dbraw/zinc/03/87/43/211038743.db2.gz FIEJWEBPCARMKN-OQLLNIDSSA-N 0 2 372.427 4.015 50 10 FICALN O=C(NCc1cc([N+](=O)[O-])ccc1O)c1ccc(Oc2ccccc2)cc1 ZINC000034863325 263397599 /nfs/dbraw/zinc/39/75/99/263397599.db2.gz QMTPMEYJGNJHNG-UHFFFAOYSA-N 0 2 364.357 4.023 50 10 FICALN CC(C)[C@@H](C(=O)NCc1cc([N+](=O)[O-])ccc1O)c1ccc(Cl)cc1 ZINC000034884277 211625729 /nfs/dbraw/zinc/62/57/29/211625729.db2.gz HTNRWGCPLPUNFT-QGZVFWFLSA-N 0 2 362.813 4.010 50 10 FICALN CC(C)Oc1ccc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000023382854 534971155 /nfs/dbraw/zinc/97/11/55/534971155.db2.gz SXUZNKRAYZLZBU-GZTJUZNOSA-N 0 2 368.364 4.120 50 10 FICALN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1cc(Cl)ccc1O ZINC000100957116 570800954 /nfs/dbraw/zinc/80/09/54/570800954.db2.gz QYQJBMYCPBIGIF-NTEUORMPSA-N 0 2 362.216 4.418 50 10 FICALN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1cc(Cl)ccc1O ZINC000100957116 570800959 /nfs/dbraw/zinc/80/09/59/570800959.db2.gz QYQJBMYCPBIGIF-NTEUORMPSA-N 0 2 362.216 4.418 50 10 FICALN COc1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccc([NH+](C)C)cc2)cc1 ZINC000001145134 210324501 /nfs/dbraw/zinc/32/45/01/210324501.db2.gz NCXCUNNOQJFYRA-UHFFFAOYSA-N 0 2 364.445 4.236 50 10 FICALN Cc1[nH]c2ccccc2c1C=C1C(=O)NC(=O)N(c2ccccc2F)C1=O ZINC000001250805 132381576 /nfs/dbraw/zinc/38/15/76/132381576.db2.gz KDIXTUAJBLEJCV-GXDHUFHOSA-N 0 2 363.348 4.122 50 10 FICALN CC1=NN(c2ccc(C)cc2C)C(=O)C1=CNc1cc(Cl)ccc1O ZINC000005442687 570656335 /nfs/dbraw/zinc/65/63/35/570656335.db2.gz GGBLTMQJLNWJAL-XNTDXEJSSA-N 0 2 355.825 4.381 50 10 FICALN Cc1[nH]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1cc(Cl)ccc1O ZINC000005442687 570656338 /nfs/dbraw/zinc/65/63/38/570656338.db2.gz GGBLTMQJLNWJAL-XNTDXEJSSA-N 0 2 355.825 4.381 50 10 FICALN CCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cc(Cl)cc(Cl)c1O ZINC000078594925 571212537 /nfs/dbraw/zinc/21/25/37/571212537.db2.gz SFSBSVKDYLHKRZ-HNNXBMFYSA-N 0 2 357.281 4.242 50 10 FICALN Cc1ccc(C)c(N2C(=O)NC(=O)C(=Cc3cccc4ccccc34)C2=O)c1 ZINC000001174230 132380726 /nfs/dbraw/zinc/38/07/26/132380726.db2.gz ORYCZZOHQGWXNJ-CPNJWEJPSA-N 0 2 370.408 4.123 50 10 FICALN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cccc3ccccc23)C1=O ZINC000001171070 132380751 /nfs/dbraw/zinc/38/07/51/132380751.db2.gz VDQFVDZAWUBEOF-XMHGGMMESA-N 0 2 370.408 4.069 50 10 FICALN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(Cl)c3)C2=O)c(C)c1 ZINC000034234778 568587931 /nfs/dbraw/zinc/58/79/31/568587931.db2.gz ZNBBVIDYABDHCO-JYRVWZFOSA-N 0 2 370.792 4.169 50 10 FICALN CC1=NN(c2ccc(C)cc2)C(=O)C1C=Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000100922872 570800643 /nfs/dbraw/zinc/80/06/43/570800643.db2.gz RSKVVGQEANOEQO-GDNBJRDFSA-N 0 2 370.796 4.275 50 10 FICALN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1C=Nc1ccc(C)cc1[N+](=O)[O-] ZINC000101082494 570806070 /nfs/dbraw/zinc/80/60/70/570806070.db2.gz WEFPKIRJPJHBIF-GZTJUZNOSA-N 0 2 364.405 4.239 50 10 FICALN CCOc1cccc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1 ZINC000033316175 571232938 /nfs/dbraw/zinc/23/29/38/571232938.db2.gz NAUQVFKPWVVWBO-PDGQHHTCSA-N 0 2 364.401 4.209 50 10 FICALN Cc1ccc(C=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)o1 ZINC000008971496 132260764 /nfs/dbraw/zinc/26/07/64/132260764.db2.gz AQIYQZHKPQPAKG-MDWZMJQESA-N 0 2 364.279 4.114 50 10 FICALN Cc1[nH]c2ccccc2c1C=C1C(=O)NC(=O)N(c2ccccc2C)C1=O ZINC000020028737 570908102 /nfs/dbraw/zinc/90/81/02/570908102.db2.gz YXATVKNDNVLZTD-WJDWOHSUSA-N 0 2 359.385 4.291 50 10 FICALN Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)SC2=S)cc1 ZINC000033311643 571232630 /nfs/dbraw/zinc/23/26/30/571232630.db2.gz FIEJWEBPCARMKN-DHDCSXOGSA-N 0 2 372.427 4.015 50 10 FICALN O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Cl)cc1Cl ZINC000000820693 219327031 /nfs/dbraw/zinc/32/70/31/219327031.db2.gz NSZBJBXJIUVCEX-AWNIVKPZSA-N 0 2 367.619 4.108 50 10 FICALN Cc1[nH]c2ccccc2c1C=C1C(=O)NC(=O)N(c2ccccc2C)C1=O ZINC000008995393 132260792 /nfs/dbraw/zinc/26/07/92/132260792.db2.gz YXATVKNDNVLZTD-LFIBNONCSA-N 0 2 359.385 4.291 50 10 FICALN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1c[nH]c2ccccc12 ZINC000001239237 132381231 /nfs/dbraw/zinc/38/12/31/132381231.db2.gz LARUQYDQOXMOGQ-DHDCSXOGSA-N 0 2 365.776 4.328 50 10 FICALN CC(C)c1ccc(N2C(=O)NC(=O)C(=Cc3nc4ccccc4[nH]3)C2=O)cc1 ZINC000038167088 136118630 /nfs/dbraw/zinc/11/86/30/136118630.db2.gz URGFAYKOSFKMEU-RVDMUPIBSA-N 0 2 374.400 4.193 50 10 FICALN CC(=Nc1ccccn1)c1c(=O)n(-c2ccc(F)cc2)[nH]c1-c1ccccc1 ZINC000100423738 222244384 /nfs/dbraw/zinc/24/43/84/222244384.db2.gz XZAJZDBLNHZLNJ-HKWRFOASSA-N 0 2 372.403 4.358 50 10 FICALN COc1ccccc1C=C1C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O ZINC000017113213 570868885 /nfs/dbraw/zinc/86/88/85/570868885.db2.gz HKUDJOXUELVKBC-NTEUORMPSA-N 0 2 370.792 4.164 50 10 FICALN CC(C)[C@H](C(=O)NCc1cc([N+](=O)[O-])ccc1O)c1ccc(Cl)cc1 ZINC000034884275 571074985 /nfs/dbraw/zinc/07/49/85/571074985.db2.gz HTNRWGCPLPUNFT-KRWDZBQOSA-N 0 2 362.813 4.010 50 10 FICALN COc1ccc([C@H]2CC(c3cc(Cl)cc(Cl)c3O)=NN2)cc1OC ZINC000001447876 571112999 /nfs/dbraw/zinc/11/29/99/571112999.db2.gz LWXZANQZYNHAEA-CYBMUJFWSA-N 0 2 367.232 4.155 50 10 FICALN O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1ccc(F)cc1Cl ZINC000170593214 571266164 /nfs/dbraw/zinc/26/61/64/571266164.db2.gz JTDUEAWXOIAUSW-UHFFFAOYSA-N 0 2 368.842 4.403 50 10 FICALN CC1=NN(c2ccccc2C)C(=O)C1C=Nc1ccc([N+](=O)[O-])cc1Cl ZINC000100962128 570801319 /nfs/dbraw/zinc/80/13/19/570801319.db2.gz GTGMMBHRLFZLDV-GXDHUFHOSA-N 0 2 370.796 4.275 50 10 FICALN O=[N+]([O-])c1ccc(O)c([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)c1 ZINC000001316235 219394562 /nfs/dbraw/zinc/39/45/62/219394562.db2.gz WZQOEGSHGIETJO-HXUWFJFHSA-N 0 2 358.357 4.290 50 10 FICALN CC(C)c1ccc(N2C(=O)NC(=O)C(=Cc3c[nH]c4ccccc34)C2=O)cc1 ZINC000001202654 132381036 /nfs/dbraw/zinc/38/10/36/132381036.db2.gz AZZUJQSTGONDDG-WOJGMQOQSA-N 0 2 373.412 4.162 50 10 FICALN CC1=NN(c2ccc(C)cc2)C(=O)C1C=Nc1c(C)cc(C)cc1[N+](=O)[O-] ZINC000004359118 570757038 /nfs/dbraw/zinc/75/70/38/570757038.db2.gz OUZZSTIIRRBJDF-GZTJUZNOSA-N 0 2 364.405 4.239 50 10 FICALN COc1ccc(C=C2C(=O)NC(=O)N(c3cccc4ccccc43)C2=O)cc1 ZINC000033246716 571167752 /nfs/dbraw/zinc/16/77/52/571167752.db2.gz UTDZFRTUOYOBCE-AQTBWJFISA-N 0 2 372.380 4.355 50 10 FICALN Cc1ccc2nsnc2c1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000000792601 219321932 /nfs/dbraw/zinc/32/19/32/219321932.db2.gz MECLKCARSXGYGR-UHFFFAOYSA-N 0 2 374.274 4.107 50 10 FICALN O=c1oc2c(cc(Cl)c(O)c2CNc2cccnc2)c2c1CCCC2 ZINC000013734513 220090281 /nfs/dbraw/zinc/09/02/81/220090281.db2.gz RMVCWZGDRYEOPX-UHFFFAOYSA-N 0 2 356.809 4.038 50 10 FICALN COc1cc(NC=C2C(=O)N(c3ccccc3)N=C2C)c(OC)cc1Cl ZINC000005024199 570575766 /nfs/dbraw/zinc/57/57/66/570575766.db2.gz SQLKUCCSJVDUNM-KAMYIIQDSA-N 0 2 371.824 4.076 50 10 FICALN COc1cc(N=CC2C(=O)N(c3ccccc3)N=C2C)c(OC)cc1Cl ZINC000005024199 570575767 /nfs/dbraw/zinc/57/57/67/570575767.db2.gz SQLKUCCSJVDUNM-KAMYIIQDSA-N 0 2 371.824 4.076 50 10 FICALN CCOc1ccc(N=Nc2c(N)[nH]n3c2nc(-c2ccccc2)cc3=O)cc1 ZINC000004649645 570598580 /nfs/dbraw/zinc/59/85/80/570598580.db2.gz KFNUKQNYVVBFJL-WCWDXBQESA-N 0 2 374.404 4.086 50 10 FICALN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cn(C)c3ccccc23)C1=O ZINC000008914327 571071713 /nfs/dbraw/zinc/07/17/13/571071713.db2.gz LSLNAUVFYVEXGM-SFQUDFHCSA-N 0 2 373.412 4.247 50 10 FICALN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cn(C)c4ccccc34)C2=O)cc1 ZINC000009016017 571091552 /nfs/dbraw/zinc/09/15/52/571091552.db2.gz ICWNUPDCMXFNML-PDGQHHTCSA-N 0 2 373.412 4.247 50 10 FICALN CC(C)c1ccc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000009065350 571094621 /nfs/dbraw/zinc/09/46/21/571094621.db2.gz LHFPFOQYFPJJMZ-BOPFTXTBSA-N 0 2 352.365 4.456 50 10 FICALN CCOC(=O)c1cccc(N=NC2C(=O)N(c3ccccc3)N=C2C)c1 ZINC000097964071 222217984 /nfs/dbraw/zinc/21/79/84/222217984.db2.gz WQBCFVWBLXRKDR-QZQOTICOSA-N 0 2 350.378 4.478 50 10 FICALN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cccc3ccccc23)C1=O ZINC000004701022 570774471 /nfs/dbraw/zinc/77/44/71/570774471.db2.gz VDQFVDZAWUBEOF-RGEXLXHISA-N 0 2 370.408 4.069 50 10 FICALN O=C1NC(=O)N(c2cccc3ccccc32)C(=O)/C1=C\C=C\c1ccccc1 ZINC000016309482 570854077 /nfs/dbraw/zinc/85/40/77/570854077.db2.gz BKEDMBKWTQVNSH-YECQTARSSA-N 0 2 368.392 4.062 50 10 FICALN CCOc1cccc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c1 ZINC000033316251 571233003 /nfs/dbraw/zinc/23/30/03/571233003.db2.gz LQHKHDFGSYTRNV-YBEGLDIGSA-N 0 2 370.792 4.245 50 10 FICALN