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)COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2 ZINC000000718934 219317135 /nfs/dbraw/zinc/31/71/35/219317135.db2.gz ZCCKRUSIGVOBGI-JQVVWYNYSA-N 0 0 365.448 5.465 40 10 FKCBRN Clc1ccc(CNc2ccccc2NCc2ccc(Cl)nc2)cn1 ZINC000000806207 219323435 /nfs/dbraw/zinc/32/34/35/219323435.db2.gz DRFXHNYVEBZSSE-UHFFFAOYSA-N 0 0 359.260 5.008 40 10 FKCBRN CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2 ZINC000000829562 219328007 /nfs/dbraw/zinc/32/80/07/219328007.db2.gz IYZAIFSSWYYPKS-BXTJHSDWSA-N 0 0 353.849 5.343 40 10 FKCBRN Clc1ccc([C@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000000834278 571293211 /nfs/dbraw/zinc/29/32/11/571293211.db2.gz XBKSKYPCXRIRLF-HDMKZQKVSA-N 0 0 360.682 5.929 40 10 FKCBRN CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000000847289 210280730 /nfs/dbraw/zinc/28/07/30/210280730.db2.gz FHGJPIGQRQJWHG-BXTJHSDWSA-N 0 0 358.268 6.023 40 10 FKCBRN Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1Br)N2 ZINC000000847291 571293265 /nfs/dbraw/zinc/29/32/65/571293265.db2.gz TZQPTTWPVVISMV-VEVIJQCQSA-N 0 0 360.682 5.929 40 10 FKCBRN Clc1ccc2c(c1Cl)N[C@H](c1ccc3c(c1)OCO3)[C@@H]1CC=C[C@H]21 ZINC000000871793 219333857 /nfs/dbraw/zinc/33/38/57/219333857.db2.gz NGAPJTHKHDFLAW-VNBZBWLYSA-N 0 0 360.240 5.549 40 10 FKCBRN COc1ccc([C@@H]2Nc3c4ccccc4ccc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000000871804 219334601 /nfs/dbraw/zinc/33/46/01/219334601.db2.gz WJQVSZYSFCCRJB-SVMVAKDDSA-N 0 0 372.424 5.583 40 10 FKCBRN COc1ccc(Cl)c2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21 ZINC000000871806 206137402 /nfs/dbraw/zinc/13/74/02/206137402.db2.gz NTJHKLQODBMRPM-IYOUNJFTSA-N 0 0 356.809 5.083 40 10 FKCBRN COc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000000871809 209378490 /nfs/dbraw/zinc/37/84/90/209378490.db2.gz ACWAFEXISDTAJD-IQUTYRLHSA-N 0 0 356.809 5.083 40 10 FKCBRN COc1ccc(Cl)c2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 ZINC000000871814 570462455 /nfs/dbraw/zinc/46/24/55/570462455.db2.gz VFMDMFIWJNIQKU-IYOUNJFTSA-N 0 0 356.809 5.083 40 10 FKCBRN COc1ccc(C)c2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@H]21 ZINC000000871816 571166508 /nfs/dbraw/zinc/16/65/08/571166508.db2.gz DMHUBXOLMDHFDQ-KSMMKXTCSA-N 0 0 370.836 5.392 40 10 FKCBRN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000000871820 206224537 /nfs/dbraw/zinc/22/45/37/206224537.db2.gz LKIGVZMKVYOSBM-SIFCLUCFSA-N 0 0 368.820 5.277 40 10 FKCBRN CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000000871823 219334650 /nfs/dbraw/zinc/33/46/50/219334650.db2.gz LOCOSAFGDPHLIT-MDOVXXIYSA-N 0 0 358.268 6.023 40 10 FKCBRN COc1ccc(Br)cc1[C@@H]1Nc2ccccc2[C@@H]2C=CC[C@@H]21 ZINC000000871828 206224647 /nfs/dbraw/zinc/22/46/47/206224647.db2.gz DBZMXTDYYUBSSU-ZUEVXXBESA-N 0 0 356.263 5.284 40 10 FKCBRN COc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Br)c1)N2 ZINC000000871829 209378347 /nfs/dbraw/zinc/37/83/47/209378347.db2.gz NELVLZMINGTTRF-FCEWJHQRSA-N 0 0 356.263 5.284 40 10 FKCBRN Brc1cc2c(cc1[C@@H]1Nc3ccccc3[C@H]3C=CC[C@H]31)OCO2 ZINC000000871833 571275344 /nfs/dbraw/zinc/27/53/44/571275344.db2.gz YOLTZIVRJAPVPH-MJCKAROISA-N 0 0 370.246 5.004 40 10 aggregator FKCBRN Clc1cccc([C@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@H]32)c1Cl ZINC000000969721 571293258 /nfs/dbraw/zinc/29/32/58/571293258.db2.gz JVLQZBOFIWWNPJ-RVPKQNPDSA-N 0 0 350.676 6.473 40 10 FKCBRN CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000000975544 570641534 /nfs/dbraw/zinc/64/15/34/570641534.db2.gz HMRIBYMYZOWQDH-QKLQHJQFSA-N 0 0 368.274 5.478 40 10 FKCBRN Oc1c([C@H](Nc2nc3ccccc3s2)c2ccco2)ccc2cccnc21 ZINC000001014205 219353643 /nfs/dbraw/zinc/35/36/43/219353643.db2.gz USTQBQSRAQTWIR-IBGZPJMESA-N 0 0 373.437 5.345 40 10 FKCBRN Oc1c([C@@H](Nc2nc3ccccc3s2)c2ccco2)ccc2cccnc21 ZINC000001014206 210301579 /nfs/dbraw/zinc/30/15/79/210301579.db2.gz USTQBQSRAQTWIR-LJQANCHMSA-N 0 0 373.437 5.345 40 10 FKCBRN Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2 ZINC000001022085 219353964 /nfs/dbraw/zinc/35/39/64/219353964.db2.gz WDDNVTSHLNBIQB-VNBZBWLYSA-N 0 0 350.676 6.473 40 10 FKCBRN COc1ccc(C)c2c1N[C@@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21 ZINC000001059182 209386492 /nfs/dbraw/zinc/38/64/92/209386492.db2.gz HTSZQRISIGVTKT-FCEWJHQRSA-N 0 0 370.290 5.593 40 10 FKCBRN Clc1cccc2c1N[C@@H](c1ccc(OC3CSC3)cc1)[C@@H]1CC=C[C@H]21 ZINC000001100968 206145629 /nfs/dbraw/zinc/14/56/29/206145629.db2.gz PMSJPCTYTIHYLR-QKLQHJQFSA-N 0 0 369.917 5.661 40 10 FKCBRN COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000001100970 219369483 /nfs/dbraw/zinc/36/94/83/219369483.db2.gz ACWAFEXISDTAJD-TYILLQQXSA-N 0 0 356.809 5.083 40 10 FKCBRN COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc3ccccc31)N2 ZINC000001212446 570493247 /nfs/dbraw/zinc/49/32/47/570493247.db2.gz VGGQQFMDNDVTNO-NOXFTYBFSA-N 0 0 355.437 5.453 40 10 FKCBRN COc1cccc2c1N[C@@H](c1ccccc1Br)[C@@H]1CC=C[C@H]21 ZINC000001216347 219390772 /nfs/dbraw/zinc/39/07/72/219390772.db2.gz YNUVXNCCCNRBDU-VEVIJQCQSA-N 0 0 356.263 5.284 40 10 FKCBRN CN1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S ZINC000001232200 570764026 /nfs/dbraw/zinc/76/40/26/570764026.db2.gz WDAHRNZSRAWXFB-QPEQYQDCSA-N 0 0 370.282 5.084 40 10 FKCBRN O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1c1cccc(Cl)c1 ZINC000001235950 570496252 /nfs/dbraw/zinc/49/62/52/570496252.db2.gz JJURVHLKOIKNNW-ZSOIEALJSA-N 0 0 366.294 5.399 40 10 FKCBRN O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1c1ccccc1Cl ZINC000001296392 219393697 /nfs/dbraw/zinc/39/36/97/219393697.db2.gz YMFSJMCSOMBIJE-CXUHLZMHSA-N 0 0 370.886 5.227 40 10 FKCBRN CC(/C=C1/SC(=S)N(c2ccccc2F)C1=O)=C/c1ccccc1 ZINC000001299842 203998325 /nfs/dbraw/zinc/99/83/25/203998325.db2.gz IRSQMLSUGVFWGM-RTNVFWHRSA-N 0 0 355.459 5.178 40 10 FKCBRN COC(=O)c1ccc([C@H]2Nc3c4ccccc4ccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000001408610 204005693 /nfs/dbraw/zinc/00/56/93/204005693.db2.gz AUYZUYKXLPVXBH-JAXLGGSGSA-N 0 0 355.437 5.453 40 10 FKCBRN COc1ccc(C)c2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@@H]21 ZINC000001410046 206227049 /nfs/dbraw/zinc/22/70/49/206227049.db2.gz QKSSIIHHEJHJIV-LPMFXHHGSA-N 0 0 360.284 6.137 40 10 FKCBRN Clc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1Br)N2 ZINC000001418686 571293248 /nfs/dbraw/zinc/29/32/48/571293248.db2.gz TZQPTTWPVVISMV-LXIYXOSZSA-N 0 0 360.682 5.929 40 10 FKCBRN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000001436511 219406228 /nfs/dbraw/zinc/40/62/28/219406228.db2.gz YDBVCGRHZYULMP-CAPFRKAQSA-N 0 0 353.421 5.167 40 10 FKCBRN CCn1c(-c2ccc(OC)cc2)csc1=Nc1c(C)cc(C)cc1C ZINC000001455007 570500766 /nfs/dbraw/zinc/50/07/66/570500766.db2.gz LISSGTGEURXBCS-UHFFFAOYSA-O 0 0 353.511 5.400 40 10 FKCBRN COc1ccc(-c2csc(=Nc3ccccc3)n2-c2ccccc2)cc1 ZINC000001455037 204007797 /nfs/dbraw/zinc/00/77/97/204007797.db2.gz WSOOFVQQOJRHLQ-UHFFFAOYSA-O 0 0 359.474 5.444 40 10 FKCBRN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000001461838 570764929 /nfs/dbraw/zinc/76/49/29/570764929.db2.gz LOCOSAFGDPHLIT-STXHMFSFSA-N 0 0 358.268 6.023 40 10 FKCBRN COc1ccc(Cl)c2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 ZINC000001461864 570764960 /nfs/dbraw/zinc/76/49/60/570764960.db2.gz NTJHKLQODBMRPM-QWQRMKEZSA-N 0 0 356.809 5.083 40 10 FKCBRN COC(=O)c1ccc([C@H]2Nc3c(cccc3C(F)(F)F)[C@H]3C=CC[C@@H]32)cc1 ZINC000001461882 570764983 /nfs/dbraw/zinc/76/49/83/570764983.db2.gz PVDJZHCWTWIQEG-RLFYNMQTSA-N 0 0 373.374 5.319 40 10 FKCBRN COc1cc([C@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC ZINC000001461888 570653039 /nfs/dbraw/zinc/65/30/39/570653039.db2.gz DQBFJWJQHQGVAU-CKFHNAJUSA-N 0 0 371.864 5.192 40 10 FKCBRN COc1ccc(C)c2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@@H]21 ZINC000001461889 206226687 /nfs/dbraw/zinc/22/66/87/206226687.db2.gz DMHUBXOLMDHFDQ-LPMFXHHGSA-N 0 0 370.836 5.392 40 10 FKCBRN COc1ccc([C@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] ZINC000001461904 570652945 /nfs/dbraw/zinc/65/29/45/570652945.db2.gz MRHJRWXNABPCBS-CKFHNAJUSA-N 0 0 356.809 5.083 40 10 FKCBRN COc1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@@H]21 ZINC000001461954 570765010 /nfs/dbraw/zinc/76/50/10/570765010.db2.gz AHOHEUHRGQPLGO-VBHSOAQHSA-N 0 0 356.809 5.083 40 10 FKCBRN COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000001461967 206226619 /nfs/dbraw/zinc/22/66/19/206226619.db2.gz NELVLZMINGTTRF-GPMSIDNRSA-N 0 0 356.263 5.284 40 10 FKCBRN COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000001461968 206227034 /nfs/dbraw/zinc/22/70/34/206227034.db2.gz ACWAFEXISDTAJD-LPMFXHHGSA-N 0 0 356.809 5.083 40 10 FKCBRN COc1ccc(-c2csc(=Nc3ccccc3)n2Cc2ccccc2)cc1 ZINC000001466223 204009722 /nfs/dbraw/zinc/00/97/22/204009722.db2.gz XCRPSPAVWHTJOS-UHFFFAOYSA-O 0 0 373.501 5.503 40 10 FKCBRN CCn1c(-c2ccc(Br)cc2)csc1=Nc1ccccc1 ZINC000001506982 206886689 /nfs/dbraw/zinc/88/66/89/206886689.db2.gz YRCNIUXLLWXXGR-UHFFFAOYSA-O 0 0 360.300 5.229 40 10 FKCBRN CCn1c(-c2ccc(Cl)cc2)csc1=Nc1ccc(NC(C)=O)cc1 ZINC000001506985 570501271 /nfs/dbraw/zinc/50/12/71/570501271.db2.gz QFUUJYQGUWNUIK-UHFFFAOYSA-O 0 0 372.901 5.078 40 10 FKCBRN Cn1c(-c2ccccc2)c2c(c1-c1ccccc1)C(=O)c1ccccc1C2=O ZINC000001557248 204012473 /nfs/dbraw/zinc/01/24/73/204012473.db2.gz CFOXJPBUOVOZNB-UHFFFAOYSA-N 0 0 363.416 5.135 40 10 FKCBRN CC(C)(C)c1cc(C(=S)SCc2ccccc2)cc(C(C)(C)C)c1O ZINC000001565959 570501794 /nfs/dbraw/zinc/50/17/94/570501794.db2.gz RDUUZZHMDRBHKO-UHFFFAOYSA-N 0 0 372.599 6.596 40 10 FKCBRN CN(C)c1ccc(/C=C/C=C2\c3ccccc3-c3ccc([N+](=O)[O-])cc32)cc1 ZINC000001602454 210361481 /nfs/dbraw/zinc/36/14/81/210361481.db2.gz VRBVHIFZPBEJLT-BDYGURBASA-N 0 0 368.436 5.786 40 10 FKCBRN CN(C)c1ccc(/C=C/C=C2/c3ccccc3-c3ccc([N+](=O)[O-])cc32)cc1 ZINC000001602457 570502962 /nfs/dbraw/zinc/50/29/62/570502962.db2.gz VRBVHIFZPBEJLT-PDJSDWQYSA-N 0 0 368.436 5.786 40 10 FKCBRN CC(=O)Nc1ccc2c(c1)/C(=C/c1ccc(N(C)C)cc1)c1ccccc1-2 ZINC000001608820 204013594 /nfs/dbraw/zinc/01/35/94/204013594.db2.gz DAWPIGLELUYDCC-OEAKJJBVSA-N 0 0 354.453 5.280 40 10 FKCBRN CN(C)c1ccc(/C=C/c2ccc(/C=C/c3ccc(N(C)C)cc3)cc2)cc1 ZINC000001619615 204014621 /nfs/dbraw/zinc/01/46/21/204014621.db2.gz FQSHCTXVYDFFOB-WGDLNXRISA-N 0 0 368.524 6.159 40 10 FKCBRN O=C1c2c(-c3ccccc3)oc(-c3ccccc3)c2C(=O)c2ccccc21 ZINC000001666789 219415626 /nfs/dbraw/zinc/41/56/26/219415626.db2.gz OJZPRMUUKPDVSJ-UHFFFAOYSA-N 0 0 350.373 5.389 40 10 FKCBRN CCCCN[C@H](c1ccc(N(CC)CC)cc1)C(Cl)(Cl)Cl ZINC000001667976 204015833 /nfs/dbraw/zinc/01/58/33/204015833.db2.gz DNLMKEWAIIMFJR-OAHLLOKOSA-N 0 0 351.749 5.334 40 10 FKCBRN CCN(CC)c1ccc([C@@H](NCCC(C)C)C(Cl)(Cl)Cl)cc1 ZINC000001667981 210365692 /nfs/dbraw/zinc/36/56/92/210365692.db2.gz FXWKMFGDAQICOW-MRXNPFEDSA-N 0 0 365.776 5.580 40 10 FKCBRN Cc1cc(C)c(-c2c(O)c(O)c(-c3ccccc3)c3ccccc32)c(C)c1 ZINC000001673230 210366405 /nfs/dbraw/zinc/36/64/05/210366405.db2.gz MLXNBZZANXPVEE-UHFFFAOYSA-N 0 0 354.449 6.510 40 10 FKCBRN COc1ccccc1N[C@@H](c1ccccc1)c1ccc2cccnc2c1O ZINC000001736217 204017843 /nfs/dbraw/zinc/01/78/43/204017843.db2.gz JTDPWBMHHNYATG-NRFANRHFSA-N 0 0 356.425 5.151 40 10 FKCBRN CCn1c(-c2ccc(Cl)cc2)csc1=Nc1ccc(Cl)cc1 ZINC000001878926 210372432 /nfs/dbraw/zinc/37/24/32/210372432.db2.gz WAQSCZXZIAXXAX-UHFFFAOYSA-O 0 0 350.294 5.773 40 10 FKCBRN Cc1ccccc1N=c1scc(-c2ccccc2)n1-c1ccccc1C ZINC000001878931 570509390 /nfs/dbraw/zinc/50/93/90/570509390.db2.gz ULZCLLHIHQIUDB-UHFFFAOYSA-O 0 0 357.502 6.052 40 10 FKCBRN CCn1c(-c2ccc(Cl)cc2)csc1=Nc1c(C)cc(C)cc1C ZINC000001923528 570510052 /nfs/dbraw/zinc/51/00/52/570510052.db2.gz LFOYYBQILTZFGB-UHFFFAOYSA-O 0 0 357.930 6.045 40 10 FKCBRN Cc1ccc(N=c2scc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 ZINC000001994172 570511546 /nfs/dbraw/zinc/51/15/46/570511546.db2.gz RGBLNYFBOVXZDS-UHFFFAOYSA-O 0 0 357.502 6.052 40 10 FKCBRN Cc1ccc(N=c2scc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc1 ZINC000001994173 570511529 /nfs/dbraw/zinc/51/15/29/570511529.db2.gz UHYFWUIPTTXUHJ-UHFFFAOYSA-O 0 0 371.529 6.361 40 10 FKCBRN CN(C)/N=N/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000002167324 570516000 /nfs/dbraw/zinc/51/60/00/570516000.db2.gz ORXZFHPKBIXCPV-WCWDXBQESA-N 0 0 361.445 5.405 40 10 FKCBRN COc1ccc([C@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] ZINC000002488525 570654523 /nfs/dbraw/zinc/65/45/23/570654523.db2.gz JZKZGDPYTCQLHV-ZJNRKIDTSA-N 0 0 356.809 5.083 40 10 FKCBRN Cc1ccc(-c2csc(=Nc3ccccc3)n2Cc2ccccc2)cc1 ZINC000002676642 570527482 /nfs/dbraw/zinc/52/74/82/570527482.db2.gz SHZZXAYLFFLORP-UHFFFAOYSA-O 0 0 357.502 5.803 40 10 FKCBRN CCCCn1c(-c2ccc([N+](=O)[O-])cc2)csc1=Nc1ccccc1 ZINC000002677054 570883380 /nfs/dbraw/zinc/88/33/80/570883380.db2.gz IJASLMAYUNTSIK-UHFFFAOYSA-O 0 0 354.455 5.155 40 10 FKCBRN Clc1ccc(-c2csc(=Nc3ccccc3)n2-c2ccccc2)cc1 ZINC000002677070 570662735 /nfs/dbraw/zinc/66/27/35/570662735.db2.gz AKWQNBASWJIRBS-UHFFFAOYSA-O 0 0 363.893 6.089 40 10 FKCBRN CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S ZINC000003044367 206233264 /nfs/dbraw/zinc/23/32/64/206233264.db2.gz XTHRECBBXYAMLC-QPEQYQDCSA-N 0 0 370.282 5.084 40 10 FKCBRN CCOc1ccc(Oc2cc(Oc3ccc(N)cc3)cc([N+](=O)[O-])c2)cc1 ZINC000003059465 204077395 /nfs/dbraw/zinc/07/73/95/204077395.db2.gz ABDROUGODBCZPI-UHFFFAOYSA-N 0 0 366.373 5.160 40 10 FKCBRN O=C1/C(=C/c2cccc3ccccc23)SC(=S)N1Cc1ccccc1 ZINC000003079137 206232742 /nfs/dbraw/zinc/23/27/42/206232742.db2.gz FQQCXVFTTPEUEX-UYRXBGFRSA-N 0 0 361.491 5.241 40 10 FKCBRN Oc1ccccc1C1=NN[C@H](c2c3ccccc3cc3ccccc32)S1 ZINC000003092202 571344666 /nfs/dbraw/zinc/34/46/66/571344666.db2.gz GZOMGKIQAPVRMI-QFIPXVFZSA-N 0 0 356.450 5.395 40 10 FKCBRN Oc1ccccc1C1=NN[C@@H](c2c3ccccc3cc3ccccc32)S1 ZINC000003092203 204077745 /nfs/dbraw/zinc/07/77/45/204077745.db2.gz GZOMGKIQAPVRMI-JOCHJYFZSA-N 0 0 356.450 5.395 40 10 FKCBRN O=C1/C(=C\c2ccc(-c3ccccc3)o2)SC(=S)N1c1ccccc1 ZINC000003138775 570760342 /nfs/dbraw/zinc/76/03/42/570760342.db2.gz AMYLSDZHOCFCPU-QGOAFFKASA-N 0 0 363.463 5.352 40 10 FKCBRN O=C(c1ccccc1)c1cc(Cl)ccc1NCc1cccc(Cl)c1 ZINC000003141008 571106839 /nfs/dbraw/zinc/10/68/39/571106839.db2.gz LWJCNQHSQSVGBO-UHFFFAOYSA-N 0 0 356.252 5.837 40 10 FKCBRN CCn1c(-c2ccc(C)cc2)csc1=Nc1cccc(C(F)(F)F)c1 ZINC000003265045 570887849 /nfs/dbraw/zinc/88/78/49/570887849.db2.gz VPWJWCCRKORTCG-UHFFFAOYSA-O 0 0 363.428 5.793 40 10 FKCBRN O=[N+]([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000003880339 206164696 /nfs/dbraw/zinc/16/46/96/206164696.db2.gz GWVXFYIUCYDRTM-HDMKZQKVSA-N 0 0 371.234 5.184 40 10 FKCBRN O=[N+]([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000003880340 570663662 /nfs/dbraw/zinc/66/36/62/570663662.db2.gz GWVXFYIUCYDRTM-DAYGRLMNSA-N 0 0 371.234 5.184 40 10 FKCBRN O=[N+]([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 ZINC000003880341 570663890 /nfs/dbraw/zinc/66/38/90/570663890.db2.gz GWVXFYIUCYDRTM-RLFYNMQTSA-N 0 0 371.234 5.184 40 10 FKCBRN O=[N+]([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000003880342 206164739 /nfs/dbraw/zinc/16/47/39/206164739.db2.gz GWVXFYIUCYDRTM-MPGHIAIKSA-N 0 0 371.234 5.184 40 10 FKCBRN COc1ccc(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1 ZINC000003898227 204114588 /nfs/dbraw/zinc/11/45/88/204114588.db2.gz LODBZNCGZZUXFY-UHFFFAOYSA-N 0 0 360.501 5.007 40 10 FKCBRN O=[N+]([O-])c1cccc2c1N[C@@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21 ZINC000004045284 570573975 /nfs/dbraw/zinc/57/39/75/570573975.db2.gz UFJADWJZTAAWOZ-PSVSLLHZSA-N 0 0 361.228 5.728 40 10 FKCBRN O=[N+]([O-])c1cccc2c1N[C@@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21 ZINC000004045287 570573943 /nfs/dbraw/zinc/57/39/43/570573943.db2.gz UFJADWJZTAAWOZ-WVQJBOLRSA-N 0 0 361.228 5.728 40 10 FKCBRN Nc1c(/N=N/c2ccc(Cl)cc2)c(-c2ccco2)nn1-c1ccccc1 ZINC000004088294 219541444 /nfs/dbraw/zinc/54/14/44/219541444.db2.gz XQJKDIJRJNTGCB-GHVJWSGMSA-N 0 0 363.808 5.783 40 10 FKCBRN Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1 ZINC000004106884 204121802 /nfs/dbraw/zinc/12/18/02/204121802.db2.gz GRNQGDKQAWDDPI-ZHZULCJRSA-N 0 0 374.465 5.335 40 10 FKCBRN CC(C)COC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 ZINC000004124118 219546155 /nfs/dbraw/zinc/54/61/55/219546155.db2.gz ZCCKRUSIGVOBGI-IPJJNNNSSA-N 0 0 365.448 5.465 40 10 FKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21 ZINC000004132315 570578078 /nfs/dbraw/zinc/57/80/78/570578078.db2.gz JXFRGZVADRPIBI-ZJNRKIDTSA-N 0 0 356.809 5.083 40 10 FKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21 ZINC000004132320 219546440 /nfs/dbraw/zinc/54/64/40/219546440.db2.gz JXFRGZVADRPIBI-VEVIJQCQSA-N 0 0 356.809 5.083 40 10 FKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21 ZINC000004132336 570578092 /nfs/dbraw/zinc/57/80/92/570578092.db2.gz MQFPOFQOAUDEHK-MPGHIAIKSA-N 0 0 356.809 5.083 40 10 FKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21 ZINC000004132345 570577993 /nfs/dbraw/zinc/57/79/93/570577993.db2.gz MQFPOFQOAUDEHK-DAYGRLMNSA-N 0 0 356.809 5.083 40 10 FKCBRN CCOc1cc2c(c([N+](=O)[O-])c1)N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21 ZINC000004132383 570578108 /nfs/dbraw/zinc/57/81/08/570578108.db2.gz QYAKBOFMEYSGMR-BXWFABGCSA-N 0 0 370.836 5.473 40 10 FKCBRN CCOc1cc2c(c([N+](=O)[O-])c1)N[C@@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21 ZINC000004132387 204123174 /nfs/dbraw/zinc/12/31/74/204123174.db2.gz QYAKBOFMEYSGMR-FCEWJHQRSA-N 0 0 370.836 5.473 40 10 FKCBRN Nc1nc(-c2ccc(Br)cc2)c(/N=N/c2ccccc2)s1 ZINC000004137227 570578480 /nfs/dbraw/zinc/57/84/80/570578480.db2.gz OJYGPIQKAFWXJQ-FMQUCBEESA-N 0 0 359.252 5.570 40 10 FKCBRN COc1cccc([C@@H]2Nc3c([N+](=O)[O-])cc(C)c(C)c3[C@@H]3C=CC[C@H]32)c1 ZINC000004151413 207003129 /nfs/dbraw/zinc/00/31/29/207003129.db2.gz PIUMFLSONQOYLG-HLIPFELVSA-N 0 0 350.418 5.047 40 10 FKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@H]21 ZINC000004151442 570772847 /nfs/dbraw/zinc/77/28/47/570772847.db2.gz BMOAONFOCCZGGT-RLFYNMQTSA-N 0 0 356.809 5.083 40 10 FKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@H]21 ZINC000004151444 570772886 /nfs/dbraw/zinc/77/28/86/570772886.db2.gz BMOAONFOCCZGGT-HDMKZQKVSA-N 0 0 356.809 5.083 40 10 FKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@H]21 ZINC000004151445 204125256 /nfs/dbraw/zinc/12/52/56/204125256.db2.gz BMOAONFOCCZGGT-DAYGRLMNSA-N 0 0 356.809 5.083 40 10 FKCBRN Clc1cccc2c1N[C@@H](c1ccc(OC3CSC3)cc1)[C@H]1CC=C[C@H]21 ZINC000004181773 206170441 /nfs/dbraw/zinc/17/04/41/206170441.db2.gz PMSJPCTYTIHYLR-ZWOKBUDYSA-N 0 0 369.917 5.661 40 10 FKCBRN O=C(Nc1ccc2c3c1[C@@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@H]21)c1ccccc1 ZINC000004186513 132823259 /nfs/dbraw/zinc/82/32/59/132823259.db2.gz MNBORNQQBDLOFQ-FUMNGEBKSA-N 0 0 368.480 5.092 40 10 FKCBRN COc1ccc(C)c2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21 ZINC000004192065 570580885 /nfs/dbraw/zinc/58/08/85/570580885.db2.gz QKSSIIHHEJHJIV-CKFHNAJUSA-N 0 0 360.284 6.137 40 10 FKCBRN COc1ccc(C)c2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@@H]21 ZINC000004192067 207006343 /nfs/dbraw/zinc/00/63/43/207006343.db2.gz QKSSIIHHEJHJIV-PJIJBLCYSA-N 0 0 360.284 6.137 40 10 FKCBRN Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2 ZINC000004286138 204129504 /nfs/dbraw/zinc/12/95/04/204129504.db2.gz WDDNVTSHLNBIQB-IUUKEHGRSA-N 0 0 350.676 6.473 40 10 FKCBRN Clc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2 ZINC000004286140 571293486 /nfs/dbraw/zinc/29/34/86/571293486.db2.gz WDDNVTSHLNBIQB-PZROIBLQSA-N 0 0 350.676 6.473 40 10 FKCBRN Clc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2 ZINC000004286141 219562061 /nfs/dbraw/zinc/56/20/61/219562061.db2.gz WDDNVTSHLNBIQB-OAVHHTNSSA-N 0 0 350.676 6.473 40 10 FKCBRN CC(=O)N1c2ccc(Cl)cc2[C@H]2C=CC[C@@H]2[C@@H]1c1cccc2ccccc21 ZINC000004286308 132823407 /nfs/dbraw/zinc/82/34/07/132823407.db2.gz MGIXZCJBXIHKQQ-PTLVVNQVSA-N 0 0 373.883 6.261 40 10 FKCBRN CC(=O)N1c2ccc(Cl)cc2[C@H]2C=CC[C@H]2[C@@H]1c1cccc2ccccc21 ZINC000004286311 132823307 /nfs/dbraw/zinc/82/33/07/132823307.db2.gz MGIXZCJBXIHKQQ-LEEZEASISA-N 0 0 373.883 6.261 40 10 FKCBRN COc1cc([C@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@H]32)cc(OC)c1OC ZINC000004320903 570666665 /nfs/dbraw/zinc/66/66/65/570666665.db2.gz DQBFJWJQHQGVAU-IQUTYRLHSA-N 0 0 371.864 5.192 40 10 FKCBRN COc1ccc([C@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000004320905 570666882 /nfs/dbraw/zinc/66/68/82/570666882.db2.gz JZKZGDPYTCQLHV-VEVIJQCQSA-N 0 0 356.809 5.083 40 10 FKCBRN COc1ccc([C@@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] ZINC000004320906 570666886 /nfs/dbraw/zinc/66/68/86/570666886.db2.gz JZKZGDPYTCQLHV-JCGVRSQUSA-N 0 0 356.809 5.083 40 10 FKCBRN COc1ccc([C@@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] ZINC000004320907 570666646 /nfs/dbraw/zinc/66/66/46/570666646.db2.gz JZKZGDPYTCQLHV-LXIYXOSZSA-N 0 0 356.809 5.083 40 10 FKCBRN COc1ccc2[nH+]c3cc(Cl)ccc3c(Nc3ccc(O)cc3)c2c1 ZINC000004366430 204136067 /nfs/dbraw/zinc/13/60/67/204136067.db2.gz SAEIEYREYSNRQA-UHFFFAOYSA-N 0 0 350.805 5.499 40 10 FKCBRN CN(C)c1ccc(/C=C\c2cc(-c3ccccc3)c3ccccc3n2)cc1 ZINC000004366962 570587427 /nfs/dbraw/zinc/58/74/27/570587427.db2.gz QERLRFSZKZFKNP-QINSGFPZSA-N 0 0 350.465 6.138 40 10 FKCBRN CC(C)c1ccc(C=C2SC(Nc3ccc(Cl)cc3)=NC2=O)cc1 ZINC000004426162 570590582 /nfs/dbraw/zinc/59/05/82/570590582.db2.gz GKKIZOYJXZROIT-GZTJUZNOSA-N 0 0 356.878 5.546 40 10 FKCBRN O=C(Nc1ccccc1)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21 ZINC000004455762 570897290 /nfs/dbraw/zinc/89/72/90/570897290.db2.gz RSUVBUBFEISLKN-JYWFKMLOSA-N 0 0 368.480 5.092 40 10 FKCBRN Cc1ccc2cc(C3=C/C(=C\c4ccc(C)c([N+](=O)[O-])c4)C(=O)O3)ccc2c1 ZINC000004520508 570594758 /nfs/dbraw/zinc/59/47/58/570594758.db2.gz NGFADXPXUHGYTB-KEBDBYFISA-N 0 0 371.392 5.346 40 10 FKCBRN CN(C)c1ccc(C(c2ccc(Cl)cc2)c2ccc(N(C)C)cc2)cc1 ZINC000004523051 570594945 /nfs/dbraw/zinc/59/49/45/570594945.db2.gz JGYFBXILBKWGBN-UHFFFAOYSA-N 0 0 364.920 5.652 40 10 FKCBRN O=C(Oc1ccccc1)C1=CC(=NNc2ccccc2)c2ccccc2C1=O ZINC000004582349 207029872 /nfs/dbraw/zinc/02/98/72/207029872.db2.gz FKGNONHHAHPBEX-OCOZRVBESA-N 0 0 368.392 6.180 40 10 FKCBRN O=[N+]([N-]c1ccccc1-c1ccccc1)c1ccccc1-c1ccccc1 ZINC000004582678 570596788 /nfs/dbraw/zinc/59/67/88/570596788.db2.gz KKGQULROQZYLGU-OCEACIFDSA-N 0 0 350.421 6.946 40 10 FKCBRN CCOc1ccc(/C=C2/C=C(c3ccc(-c4ccccc4)cc3)OC2=O)cc1 ZINC000004599854 570597675 /nfs/dbraw/zinc/59/76/75/570597675.db2.gz LZLOIRFMZAZOGB-JWGURIENSA-N 0 0 368.432 5.734 40 10 FKCBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccccc2Cl)SC1=S ZINC000004602685 204150963 /nfs/dbraw/zinc/15/09/63/204150963.db2.gz DUEGRVQPRDVSDS-JASJWYONSA-N 0 0 359.903 5.302 40 10 FKCBRN C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccccc2Cl)SC1=S ZINC000004602687 570597795 /nfs/dbraw/zinc/59/77/95/570597795.db2.gz DUEGRVQPRDVSDS-PILJQMSFSA-N 0 0 359.903 5.302 40 10 FKCBRN Cc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000004618913 570597663 /nfs/dbraw/zinc/59/76/63/570597663.db2.gz UQRGKAPCOSQOKP-CXUHLZMHSA-N 0 0 359.903 5.363 40 10 FKCBRN O=C1OC(c2ccc(F)cc2)=C/C1=C/c1ccc(OCc2ccccc2)cc1 ZINC000004673301 571068466 /nfs/dbraw/zinc/06/84/66/571068466.db2.gz RMJGABKBJVUOBA-ZHZULCJRSA-N 0 0 372.395 5.386 40 10 FKCBRN Cc1cc(/N=N/c2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc2ccccc12 ZINC000004713538 209427237 /nfs/dbraw/zinc/42/72/37/209427237.db2.gz TYXSIDRHJVMYCH-GHVJWSGMSA-N 0 0 360.295 5.886 40 10 FKCBRN CCOC(=O)c1c(C)c(C)sc1N=Nc1c(O)ccc2ccccc21 ZINC000004713708 209426392 /nfs/dbraw/zinc/42/63/92/209426392.db2.gz BMNINIRMUCSREY-QZQOTICOSA-N 0 0 354.431 5.816 40 10 FKCBRN Cc1ccccc1/N=N\c1ccc(NC(=O)c2ccc(Cl)cc2)cc1C ZINC000004713709 570671080 /nfs/dbraw/zinc/67/10/80/570671080.db2.gz CHSXJZYMFNPUEJ-IZHYLOQSSA-N 0 0 363.848 6.625 40 10 FKCBRN CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 ZINC000004714139 570671023 /nfs/dbraw/zinc/67/10/23/570671023.db2.gz IYZAIFSSWYYPKS-AUSJPIAWSA-N 0 0 353.849 5.343 40 10 FKCBRN O=[N+]([O-])c1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21 ZINC000004714158 210555090 /nfs/dbraw/zinc/55/50/90/210555090.db2.gz OOLONEOOAVEPSE-ZQIUZPCESA-N 0 0 371.234 5.184 40 10 FKCBRN O=[N+]([O-])c1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21 ZINC000004714160 207040855 /nfs/dbraw/zinc/04/08/55/207040855.db2.gz OOLONEOOAVEPSE-VBQJREDUSA-N 0 0 371.234 5.184 40 10 FKCBRN O=[N+]([O-])c1cccc([C@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@H]32)c1 ZINC000004714358 570602891 /nfs/dbraw/zinc/60/28/91/570602891.db2.gz IVEAFNNHZDJDMZ-HDMKZQKVSA-N 0 0 371.234 5.184 40 10 FKCBRN O=[N+]([O-])c1cccc([C@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@@H]32)c1 ZINC000004714359 219599744 /nfs/dbraw/zinc/59/97/44/219599744.db2.gz IVEAFNNHZDJDMZ-RLFYNMQTSA-N 0 0 371.234 5.184 40 10 FKCBRN O=[N+]([O-])c1cc(Br)c2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2 ZINC000004718498 219600441 /nfs/dbraw/zinc/60/04/41/219600441.db2.gz DXLGAURBTCWZSW-JJRVBVJISA-N 0 0 371.234 5.184 40 10 FKCBRN O=[N+]([O-])c1cc(Br)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 ZINC000004718499 204158206 /nfs/dbraw/zinc/15/82/06/204158206.db2.gz DXLGAURBTCWZSW-VBQJREDUSA-N 0 0 371.234 5.184 40 10 FKCBRN O=[N+]([O-])c1cc(Br)c2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2 ZINC000004718500 207041647 /nfs/dbraw/zinc/04/16/47/207041647.db2.gz DXLGAURBTCWZSW-GRDNDAEWSA-N 0 0 371.234 5.184 40 10 FKCBRN O=[N+]([O-])c1cc(Br)c2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 ZINC000004718501 571293467 /nfs/dbraw/zinc/29/34/67/571293467.db2.gz DXLGAURBTCWZSW-ZQIUZPCESA-N 0 0 371.234 5.184 40 10 FKCBRN COc1cccc2c1N[C@@H](c1ccccc1Br)[C@H]1CC=C[C@H]21 ZINC000004718519 207041455 /nfs/dbraw/zinc/04/14/55/207041455.db2.gz YNUVXNCCCNRBDU-ZJNRKIDTSA-N 0 0 356.263 5.284 40 10 FKCBRN CN(C)c1ccc(C2=CC(c3ccccc3)=NN=C(c3ccccc3)C2)cc1 ZINC000004718571 210079485 /nfs/dbraw/zinc/07/94/85/210079485.db2.gz VXVJBLRSHSQLAK-UHFFFAOYSA-N 0 0 365.480 5.433 40 10 FKCBRN O=[N+]([O-])c1ccc([C@H]2Nc3c(Cl)c(Cl)ccc3[C@H]3C=CC[C@H]32)cc1 ZINC000004718768 204157414 /nfs/dbraw/zinc/15/74/14/204157414.db2.gz ZPJKTDFWUDJHPJ-OGHNNQOOSA-N 0 0 361.228 5.728 40 10 FKCBRN 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CCc1ccccc1NC1=NC(=O)C(=Cc2cccc3ccccc23)S1 ZINC000005520340 570629416 /nfs/dbraw/zinc/62/94/16/570629416.db2.gz MLWJEGBXSKVTPT-ZHZULCJRSA-N 0 0 358.466 5.485 40 10 FKCBRN O=C1N=C(Nc2cccc3ccccc32)SC1=Cc1c[nH]c2ccccc12 ZINC000005520423 570629397 /nfs/dbraw/zinc/62/93/97/570629397.db2.gz NQYWGLGSFWGKEU-NDENLUEZSA-N 0 0 369.449 5.404 40 10 FKCBRN O=C1N=C(Nc2ccc3ccccc3c2)SC1=Cc1c[nH]c2ccccc12 ZINC000005520429 570629505 /nfs/dbraw/zinc/62/95/05/570629505.db2.gz OZYHZNMTIXMINA-NDENLUEZSA-N 0 0 369.449 5.404 40 10 FKCBRN COc1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)ccc1OC(C)C ZINC000005522645 203811500 /nfs/dbraw/zinc/81/15/00/203811500.db2.gz XJMXTYGIMUDHHH-MHWRWJLKSA-N 0 0 370.832 5.117 40 10 FKCBRN Cc1c(Cl)ccc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21 ZINC000005532484 263341497 /nfs/dbraw/zinc/34/14/97/263341497.db2.gz HTYXNGMXFVUKGP-YZVOILCLSA-N 0 0 374.709 6.237 40 10 FKCBRN Cc1c(Cl)ccc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21 ZINC000005532490 263341529 /nfs/dbraw/zinc/34/15/29/263341529.db2.gz HTYXNGMXFVUKGP-QMTMVMCOSA-N 0 0 374.709 6.237 40 10 FKCBRN Cc1c(Cl)ccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21 ZINC000005536838 263341495 /nfs/dbraw/zinc/34/14/95/263341495.db2.gz BYAWTCXKTYWEAJ-ZKTNFTSUSA-N 0 0 364.703 6.782 40 10 FKCBRN Cc1c(Cl)ccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21 ZINC000005536849 263341507 /nfs/dbraw/zinc/34/15/07/263341507.db2.gz BYAWTCXKTYWEAJ-CRTZDJKQSA-N 0 0 364.703 6.782 40 10 FKCBRN CCCCc1ccc(N2C(=O)/C(=C/c3ccccc3C)SC2=S)cc1 ZINC000005551776 207104928 /nfs/dbraw/zinc/10/49/28/207104928.db2.gz KETJTAVRESCRBV-RGEXLXHISA-N 0 0 367.539 5.743 40 10 FKCBRN CCCCc1ccc(N2C(=O)/C(=C/c3cccc(C)c3)SC2=S)cc1 ZINC000005551786 570630316 /nfs/dbraw/zinc/63/03/16/570630316.db2.gz BNQSKAYMLXEMFJ-RGEXLXHISA-N 0 0 367.539 5.743 40 10 FKCBRN CCCCc1ccc(N2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)cc1 ZINC000005551790 207104617 /nfs/dbraw/zinc/10/46/17/207104617.db2.gz ZAIGKFPUIXCUTF-RGEXLXHISA-N 0 0 367.539 5.743 40 10 FKCBRN Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)SC2=S)c1 ZINC000005551859 570630363 /nfs/dbraw/zinc/63/03/63/570630363.db2.gz DXFLYZZWCJXKRF-UNOMPAQXSA-N 0 0 367.539 5.833 40 10 FKCBRN Oc1c([C@H](c2ccc(Cl)cc2Cl)[NH+]2CCCC2)ccc2cccnc21 ZINC000005556319 207104880 /nfs/dbraw/zinc/10/48/80/207104880.db2.gz FMTVQXNHIXBWER-IBGZPJMESA-N 0 0 373.283 5.432 40 10 FKCBRN Cc1ccc(NC(=O)COc2ccc(/N=N/c3ccccc3)cc2)c(C)c1 ZINC000005559348 209446687 /nfs/dbraw/zinc/44/66/87/209446687.db2.gz MQZGMYLDHRKNNW-OCOZRVBESA-N 0 0 359.429 5.736 40 10 FKCBRN Cc1sc(=Nc2ccccc2)n(CCc2ccccc2)c1-c1ccccc1 ZINC000005570458 204216026 /nfs/dbraw/zinc/21/60/26/204216026.db2.gz FGQMPKBXLIIQNN-UHFFFAOYSA-O 0 0 371.529 5.997 40 10 FKCBRN Cc1ccc(-c2csc(=Nc3ccccc3)n2CCc2ccccc2)cc1 ZINC000005571005 204216359 /nfs/dbraw/zinc/21/63/59/204216359.db2.gz RTVSJYYLHWAWRD-UHFFFAOYSA-O 0 0 371.529 5.997 40 10 FKCBRN CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Br)N2 ZINC000005585903 570777171 /nfs/dbraw/zinc/77/71/71/570777171.db2.gz ILHDMSBKBLDMOG-QEEYODRMSA-N 0 0 370.290 5.674 40 10 FKCBRN CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Br)N2 ZINC000005585906 570777186 /nfs/dbraw/zinc/77/71/86/570777186.db2.gz ILHDMSBKBLDMOG-STXHMFSFSA-N 0 0 370.290 5.674 40 10 FKCBRN Cc1cc(C=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000005587461 206240697 /nfs/dbraw/zinc/24/06/97/206240697.db2.gz RHBGOOYKYQBCQP-UHFFFAOYSA-N 0 0 374.267 5.792 40 10 FKCBRN O=[N+]([O-])c1cccc2c1N[C@H](c1cccc(Br)c1)[C@@H]1CC=C[C@H]21 ZINC000005589022 570777174 /nfs/dbraw/zinc/77/71/74/570777174.db2.gz KUIAIEHGRPCIPJ-JJRVBVJISA-N 0 0 371.234 5.184 40 10 FKCBRN O=[N+]([O-])c1cccc2c1N[C@H](c1cccc(Br)c1)[C@H]1CC=C[C@H]21 ZINC000005589023 219690472 /nfs/dbraw/zinc/69/04/72/219690472.db2.gz KUIAIEHGRPCIPJ-GRDNDAEWSA-N 0 0 371.234 5.184 40 10 FKCBRN O=C1c2ccccc2C(=O)c2c3c(ccc21)c1ccccc1n3-c1ccccc1 ZINC000005593789 207108458 /nfs/dbraw/zinc/10/84/58/207108458.db2.gz SYFDLZWAZARVCW-UHFFFAOYSA-N 0 0 373.411 5.559 40 10 FKCBRN Cc1ccc(C=C2SC(Nc3ccc(Cl)cc3Cl)=NC2=O)cc1 ZINC000005698447 204221578 /nfs/dbraw/zinc/22/15/78/204221578.db2.gz BIQODEOOGGORRI-NVNXTCNLSA-N 0 0 363.269 5.384 40 10 FKCBRN O=C1c2ccccc2C(=O)c2c(-c3ccccc3)ccc(-c3ccccc3)c21 ZINC000005707174 204222699 /nfs/dbraw/zinc/22/26/99/204222699.db2.gz WASCWXZGGFTKNI-UHFFFAOYSA-N 0 0 360.412 5.796 40 10 FKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21 ZINC000005738354 570777153 /nfs/dbraw/zinc/77/71/53/570777153.db2.gz BMOAONFOCCZGGT-RVKKMQEKSA-N 0 0 356.809 5.083 40 10 FKCBRN Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000005739817 206240688 /nfs/dbraw/zinc/24/06/88/206240688.db2.gz DWTFRFPHVHIYPA-JTDSTZFVSA-N 0 0 354.837 5.692 40 10 FKCBRN Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000005739824 206239940 /nfs/dbraw/zinc/23/99/40/206239940.db2.gz JWMUUZAFHXDNAU-JTDSTZFVSA-N 0 0 354.837 5.692 40 10 FKCBRN Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc3ccccc31)N2 ZINC000005739829 570777101 /nfs/dbraw/zinc/77/71/01/570777101.db2.gz ZAGGCRKXPXSKSK-QMHWCDLVSA-N 0 0 370.452 6.191 40 10 FKCBRN Oc1c2c(c(O)c3ccccc13)C1(N=N2)c2ccccc2Oc2ccccc21 ZINC000005742281 204223048 /nfs/dbraw/zinc/22/30/48/204223048.db2.gz YFMCYRZSEQIRKF-UHFFFAOYSA-N 0 0 366.376 5.746 40 10 FKCBRN Cc1ccc(O)c(/N=N\c2ccc3c(c2)sc2sc4ccccc4c32)c1 ZINC000005744437 570967533 /nfs/dbraw/zinc/96/75/33/570967533.db2.gz HIMLZIAOKHSZIJ-FCQUAONHSA-N 0 0 374.490 7.699 40 10 FKCBRN Cc1ccc(NN=c2ccc(=O)c(=NNc3ccc(C)cc3C)c2=O)c(C)c1 ZINC000005765301 570635242 /nfs/dbraw/zinc/63/52/42/570635242.db2.gz WMIICSQDNIXFKP-MRAZZECGSA-N 0 0 374.444 7.162 40 10 FKCBRN Nc1nc(-c2ccccc2)c(/N=N/c2ccc(Br)cc2)s1 ZINC000005773961 206198222 /nfs/dbraw/zinc/19/82/22/206198222.db2.gz MTVISKDVVJHOPK-FMQUCBEESA-N 0 0 359.252 5.570 40 10 FKCBRN CCCCN[C@@H](c1ccc(N(CC)CC)cc1)C(Cl)(Cl)Cl ZINC000005838021 263343565 /nfs/dbraw/zinc/34/35/65/263343565.db2.gz DNLMKEWAIIMFJR-HNNXBMFYSA-N 0 0 351.749 5.334 40 10 FKCBRN CCN(CC)c1ccc([C@H](NCCC(C)C)C(Cl)(Cl)Cl)cc1 ZINC000005840603 570637077 /nfs/dbraw/zinc/63/70/77/570637077.db2.gz FXWKMFGDAQICOW-INIZCTEOSA-N 0 0 365.776 5.580 40 10 FKCBRN CCCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000005861854 206240351 /nfs/dbraw/zinc/24/03/51/206240351.db2.gz HCZDDRBRNNMVTO-JXAWBTAJSA-N 0 0 369.511 5.271 40 10 FKCBRN CN(C)c1ccc([C@@H](Nc2cccnc2)Sc2ccc(Cl)cc2)cc1 ZINC000005879075 207120709 /nfs/dbraw/zinc/12/07/09/207120709.db2.gz UFECUPFJHBNDJH-FQEVSTJZSA-N 0 0 369.921 5.704 40 10 FKCBRN CN(C)c1ccc([C@H](Nc2cccnc2)Sc2ccc(Cl)cc2)cc1 ZINC000005879081 207120379 /nfs/dbraw/zinc/12/03/79/207120379.db2.gz UFECUPFJHBNDJH-HXUWFJFHSA-N 0 0 369.921 5.704 40 10 FKCBRN CC(/C=C1/SC(=S)N(c2ccc(C)cc2C)C1=O)=C/c1ccccc1 ZINC000006063362 207127481 /nfs/dbraw/zinc/12/74/81/207127481.db2.gz TXHFLLFFIQLBEF-WAZQMIMHSA-N 0 0 365.523 5.656 40 10 FKCBRN CC(/C=C1/SC(=S)N(c2ccccc2C)C1=O)=C/c1ccccc1 ZINC000006132160 570641671 /nfs/dbraw/zinc/64/16/71/570641671.db2.gz VBLFFGNFDIVPDF-FGFUYGETSA-N 0 0 351.496 5.347 40 10 FKCBRN Cc1ccc(/N=N/c2ccc(/C=C/c3ccc(Cl)cc3Cl)cc2)cc1 ZINC000006190126 209507462 /nfs/dbraw/zinc/50/74/62/209507462.db2.gz FFCKXFXXKWCJPR-LCRXUEIISA-N 0 0 367.279 7.888 40 10 FKCBRN Cc1ccc(N2C(=O)/C(=C\c3c(F)cccc3Cl)SC2=S)cc1 ZINC000006199380 570779728 /nfs/dbraw/zinc/77/97/28/570779728.db2.gz UXOZLDPHFZHBHE-OQLLNIDSSA-N 0 0 363.866 5.193 40 10 FKCBRN CCc1ccc(-n2c(C)cc([C@@H]3NN=C(c4ccccc4)S3)c2C)cc1 ZINC000006243693 571295561 /nfs/dbraw/zinc/29/55/61/571295561.db2.gz BHMZWNARMJIYII-JOCHJYFZSA-N 0 0 361.514 5.353 40 10 FKCBRN CCc1ccc(-n2c(C)cc([C@H]3NN=C(c4ccccc4)S3)c2C)cc1 ZINC000006243695 571295627 /nfs/dbraw/zinc/29/56/27/571295627.db2.gz BHMZWNARMJIYII-QFIPXVFZSA-N 0 0 361.514 5.353 40 10 FKCBRN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccccc1C(F)(F)F ZINC000006274827 570485560 /nfs/dbraw/zinc/48/55/60/570485560.db2.gz ZOQTZUDVWXDILZ-OCEACIFDSA-N 0 0 369.346 6.373 40 10 FKCBRN Ic1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 ZINC000006276963 570780109 /nfs/dbraw/zinc/78/01/09/570780109.db2.gz VTPXMFVJWLLENT-VKJFTORMSA-N 0 0 373.237 5.118 40 10 FKCBRN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 ZINC000006297473 570780784 /nfs/dbraw/zinc/78/07/84/570780784.db2.gz DMQHUXDHEQWIKL-SIFCLUCFSA-N 0 0 368.820 5.277 40 10 FKCBRN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1C(F)(F)F)N2 ZINC000006297478 571295642 /nfs/dbraw/zinc/29/56/42/571295642.db2.gz JKYAGDWOILPGAL-QEEYODRMSA-N 0 0 357.375 5.735 40 10 FKCBRN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 ZINC000006297481 570780774 /nfs/dbraw/zinc/78/07/74/570780774.db2.gz DMQHUXDHEQWIKL-SXGZJXTBSA-N 0 0 368.820 5.277 40 10 FKCBRN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1C(F)(F)F)N2 ZINC000006297487 571295698 /nfs/dbraw/zinc/29/56/98/571295698.db2.gz JKYAGDWOILPGAL-STXHMFSFSA-N 0 0 357.375 5.735 40 10 FKCBRN CC(C)(C)c1ccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@H]3C=CC[C@H]32)cc1 ZINC000006324044 571295830 /nfs/dbraw/zinc/29/58/30/571295830.db2.gz LZNODUBBUJUEBG-FVJLSDCUSA-N 0 0 372.339 7.117 40 10 FKCBRN CC(C)(C)c1ccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@H]3C=CC[C@H]32)cc1 ZINC000006324054 571295774 /nfs/dbraw/zinc/29/57/74/571295774.db2.gz BEQCFMQOIYOOIU-YRNRMSPPSA-N 0 0 372.339 7.117 40 10 FKCBRN CC(C)(C)c1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000006324064 571295791 /nfs/dbraw/zinc/29/57/91/571295791.db2.gz IGNAXGORMYQVRB-QKLQHJQFSA-N 0 0 372.339 7.117 40 10 FKCBRN CC(C)(C)c1ccc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000006324085 571295832 /nfs/dbraw/zinc/29/58/32/571295832.db2.gz UAIJTLYDZKNHOS-UEXGIBASSA-N 0 0 371.446 6.829 40 10 FKCBRN CC(C)(C)c1ccc([C@@H]2Nc3c(Cl)c(Cl)ccc3[C@H]3C=CC[C@H]32)cc1 ZINC000006324098 571295783 /nfs/dbraw/zinc/29/57/83/571295783.db2.gz CZRZQMNBZOPFSH-YRNRMSPPSA-N 0 0 372.339 7.117 40 10 FKCBRN CC(C)(C)c1ccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@H]3C=CC[C@H]32)cc1 ZINC000006324103 571295793 /nfs/dbraw/zinc/29/57/93/571295793.db2.gz ZPUJOBQKHJEOAA-QKLQHJQFSA-N 0 0 371.446 6.829 40 10 FKCBRN 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ZINC000014464892 570855366 /nfs/dbraw/zinc/85/53/66/570855366.db2.gz JPWYRCKAGWDFCM-DEYYWGMASA-N 0 0 350.676 6.473 40 10 FKCBRN CCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000014465700 570855299 /nfs/dbraw/zinc/85/52/99/570855299.db2.gz FPWMXZXNXIURIQ-LQWHRVPQSA-N 0 0 366.892 5.306 40 10 FKCBRN CCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000014465704 570855169 /nfs/dbraw/zinc/85/51/69/570855169.db2.gz FPWMXZXNXIURIQ-OPYAIIAOSA-N 0 0 366.892 5.306 40 10 FKCBRN Clc1ccccc1[C@@H]1Nc2ccc(Oc3ccccc3)cc2[C@@H]2C=CC[C@@H]21 ZINC000014465864 570855143 /nfs/dbraw/zinc/85/51/43/570855143.db2.gz UTJOVWKKYWCUKO-YDIMBITNSA-N 0 0 373.883 6.959 40 10 FKCBRN Clc1cc(Cl)c2c(c1)N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21 ZINC000014465926 570855330 /nfs/dbraw/zinc/85/53/30/570855330.db2.gz FCVJAGPRDJZFDX-IUUKEHGRSA-N 0 0 350.676 6.473 40 10 FKCBRN Clc1cc(Cl)c2c(c1)N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21 ZINC000014465930 570855290 /nfs/dbraw/zinc/85/52/90/570855290.db2.gz 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VJLVJWFYMLYCPL-GHVJWSGMSA-N 0 0 365.487 6.034 40 10 FKCBRN Cc1nc2ccc(/N=N/c3sc(N)nc3-c3ccccc3)cc2s1 ZINC000016756755 220194136 /nfs/dbraw/zinc/19/41/36/220194136.db2.gz RDZNZWCDEJMYKU-QURGRASLSA-N 0 0 351.460 5.726 40 10 FKCBRN Cn1cc(/C=C2\SC(=O)N(c3ccccc3)C2=S)c2ccccc21 ZINC000016805059 207597671 /nfs/dbraw/zinc/59/76/71/207597671.db2.gz LQJKCZCUTQYDBY-BOPFTXTBSA-N 0 0 350.468 5.220 40 10 FKCBRN CC(=C\c1ccccc1)/C=C1/SC(=S)N(Cc2ccccc2)C1=O ZINC000016890245 206322434 /nfs/dbraw/zinc/32/24/34/206322434.db2.gz FMCLLRHVZFABEN-PYEASBQRSA-N 0 0 351.496 5.034 40 10 FKCBRN Nc1nc(-c2ccccc2)c(N=Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000016926588 204644435 /nfs/dbraw/zinc/64/44/35/204644435.db2.gz JZDBQJPUZNIJAL-FMQUCBEESA-N 0 0 359.798 5.200 40 10 FKCBRN O=C1N=C(c2ccccc2)S/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 ZINC000016948751 570863659 /nfs/dbraw/zinc/86/36/59/570863659.db2.gz NDUNMVXDJBNQQI-LDADJPATSA-N 0 0 365.841 5.661 40 10 FKCBRN Cc1nc(N)nc(-c2ccccc2)c1/N=N\c1ccccc1Br ZINC000016951207 570863607 /nfs/dbraw/zinc/86/36/07/570863607.db2.gz VMUACNYUQOJQIO-FCQUAONHSA-N 0 0 368.238 5.212 40 10 FKCBRN Cc1nc(N)nc(-c2ccccc2)c1/N=N\c1cccc(Cl)c1Cl ZINC000016951209 570863743 /nfs/dbraw/zinc/86/37/43/570863743.db2.gz FGBYWGMFUZPFGN-VHXPQNKSSA-N 0 0 358.232 5.756 40 10 FKCBRN Cc1nc(N)nc(-c2ccccc2)c1/N=N\c1ccc(Cl)cc1Cl ZINC000016951210 220199315 /nfs/dbraw/zinc/19/93/15/220199315.db2.gz WKZFJPJBBZUVOV-VHXPQNKSSA-N 0 0 358.232 5.756 40 10 FKCBRN COc1ccc(C)c2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21 ZINC000016956765 206322097 /nfs/dbraw/zinc/32/20/97/206322097.db2.gz QKSSIIHHEJHJIV-TYILLQQXSA-N 0 0 360.284 6.137 40 10 FKCBRN COc1ccc(C)c2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@H]21 ZINC000016956766 220199223 /nfs/dbraw/zinc/19/92/23/220199223.db2.gz QKSSIIHHEJHJIV-NJSLBKSFSA-N 0 0 360.284 6.137 40 10 FKCBRN COc1ccc(C)c2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21 ZINC000016956768 220199000 /nfs/dbraw/zinc/19/90/00/220199000.db2.gz QKSSIIHHEJHJIV-KSMMKXTCSA-N 0 0 360.284 6.137 40 10 FKCBRN Nc1nn2cc3c(nc2c1/N=N/c1ccc(Cl)cc1)-c1ccccc1CC3 ZINC000016958965 570864055 /nfs/dbraw/zinc/86/40/55/570864055.db2.gz ZRLPNVQBJNKCRS-OCOZRVBESA-N 0 0 374.835 5.146 40 10 FKCBRN CN(C)c1ccc(/C=C/c2cc(-c3ccccc3)c3ccccc3n2)cc1 ZINC000016968779 220198717 /nfs/dbraw/zinc/19/87/17/220198717.db2.gz QERLRFSZKZFKNP-NTCAYCPXSA-N 0 0 350.465 6.138 40 10 FKCBRN O=C1c2ccccc2C(=O)[C@H]2CC(c3ccccc3)=C(c3ccccc3)C[C@@H]12 ZINC000017021150 570865019 /nfs/dbraw/zinc/86/50/19/570865019.db2.gz TVNGPPZDLQYPRQ-PSWAGMNNSA-N 0 0 364.444 5.703 40 10 FKCBRN Cc1ccc(/N=N/c2ccc(C)cc2NC(=O)/C=C\c2ccccc2)cc1 ZINC000017058265 570865495 /nfs/dbraw/zinc/86/54/95/570865495.db2.gz OUJUYSLJMBCZDH-YYRYAPJQSA-N 0 0 355.441 6.371 40 10 FKCBRN Cc1nn2c(c1-c1ccc(Cl)cc1)N=C(C)C[C@@H]2c1ccccc1O ZINC000017072983 570868989 /nfs/dbraw/zinc/86/89/89/570868989.db2.gz KREVRDYYKUUCNJ-QGZVFWFLSA-N 0 0 351.837 5.303 40 10 FKCBRN Cc1nn2c(c1-c1ccc(Cl)cc1)N=C(C)C[C@H]2c1ccccc1O ZINC000017072984 570868742 /nfs/dbraw/zinc/86/87/42/570868742.db2.gz KREVRDYYKUUCNJ-KRWDZBQOSA-N 0 0 351.837 5.303 40 10 FKCBRN CC(Nc1ccc(C)cc1)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000017075444 263372370 /nfs/dbraw/zinc/37/23/70/263372370.db2.gz NNDVVHLZPQZGRN-PYCFMQQDSA-N 0 0 367.452 5.132 40 10 FKCBRN C[C@@H]1CCCCN1C(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000017076381 263372334 /nfs/dbraw/zinc/37/23/34/263372334.db2.gz WIJGSQVKACMGKA-CQSZACIVSA-N 0 0 372.921 5.142 40 10 FKCBRN C[C@H]1CCCCN1C(=S)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000017076382 263372311 /nfs/dbraw/zinc/37/23/11/263372311.db2.gz WIJGSQVKACMGKA-AWEZNQCLSA-N 0 0 372.921 5.142 40 10 FKCBRN CC(NC1CCCCCC1)=C1C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000017076503 263372274 /nfs/dbraw/zinc/37/22/74/263372274.db2.gz YGJJJOXSIYBBBN-PYCFMQQDSA-N 0 0 373.500 5.024 40 10 FKCBRN Cc1nn(C(=O)c2ccncc2)c(C)c1/N=N/c1cccc2ccccc21 ZINC000017107714 570868818 /nfs/dbraw/zinc/86/88/18/570868818.db2.gz HEPXLIKYCWRDBQ-WCWDXBQESA-N 0 0 355.401 5.152 40 10 FKCBRN CCn1c2ccccc2c2cc(N)c(/N=N/c3cccc4ccccc43)cc21 ZINC000017108746 570868827 /nfs/dbraw/zinc/86/88/27/570868827.db2.gz MYQHVKFAALWHCB-CYYJNZCTSA-N 0 0 364.452 6.965 40 10 FKCBRN Cc1c(/N=N/c2cccc(F)c2)c(-c2ccccc2)nn1C(=S)S ZINC000017129833 570869184 /nfs/dbraw/zinc/86/91/84/570869184.db2.gz HNXUYAIBHDACRK-FMQUCBEESA-N 0 0 356.451 5.476 40 10 FKCBRN Cc1c(/N=N/c2ccccc2Cl)c(-c2ccccc2)nn1C(=S)S ZINC000017129835 211181096 /nfs/dbraw/zinc/18/10/96/211181096.db2.gz YCUWQCWGMBESNB-FMQUCBEESA-N 0 0 372.906 5.990 40 10 FKCBRN Cc1c(/N=N/c2ccc(C)cc2)c(-c2ccccc2)nn1C(=S)S ZINC000017129919 570869273 /nfs/dbraw/zinc/86/92/73/570869273.db2.gz CCIOEHYVRPRYHP-FMQUCBEESA-N 0 0 352.488 5.645 40 10 FKCBRN Cc1c(/N=N/c2cccc(Cl)c2)c(-c2ccccc2)nn1C(N)=S ZINC000017130502 220207379 /nfs/dbraw/zinc/20/73/79/220207379.db2.gz OOUDUHHFMZAHOM-QZQOTICOSA-N 0 0 355.854 5.019 40 10 FKCBRN Cc1c(/N=N/c2cccc(C)c2C)c(-c2ccccc2)nn1C(=S)S ZINC000017130514 211181090 /nfs/dbraw/zinc/18/10/90/211181090.db2.gz OEKOZUBVFVQVLA-QZQOTICOSA-N 0 0 366.515 5.954 40 10 FKCBRN CCOc1c(/N=N/c2cccc(Cl)c2)c(C)nn1C(=S)SC ZINC000017142258 570869100 /nfs/dbraw/zinc/86/91/00/570869100.db2.gz GGHYBFSGHOLAKC-WUKNDPDISA-N 0 0 354.888 5.155 40 10 FKCBRN CN(C)c1ccc(/C=C/c2ccc(/C=C\c3ccc(N(C)C)cc3)cc2)cc1 ZINC000017193305 570870352 /nfs/dbraw/zinc/87/03/52/570870352.db2.gz FQSHCTXVYDFFOB-DSOJMZEYSA-N 0 0 368.524 6.159 40 10 FKCBRN Cc1nn(-c2ccccc2)c(C)c1/N=N/c1ccc(C)cc1Br ZINC000017194698 570870223 /nfs/dbraw/zinc/87/02/23/570870223.db2.gz ZDMWRDQRZLBBSX-QZQOTICOSA-N 0 0 369.266 5.975 40 10 FKCBRN CC(=O)Nc1ccc2c(c1)/C(=C\c1ccc(N(C)C)cc1)c1ccccc1-2 ZINC000017284984 211183510 /nfs/dbraw/zinc/18/35/10/211183510.db2.gz DAWPIGLELUYDCC-UCQKPKSFSA-N 0 0 354.453 5.280 40 10 FKCBRN S=C(/N=N/c1cccc2ccccc21)NNc1cccc2ccccc21 ZINC000017315495 211184839 /nfs/dbraw/zinc/18/48/39/211184839.db2.gz IDGHLUJOYVSROS-WJTDDFOZSA-N 0 0 356.454 5.978 40 10 FKCBRN c1ccc(C(/N=N\C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000017375762 211185216 /nfs/dbraw/zinc/18/52/16/211185216.db2.gz QYINCWYHJCTGRW-DQSJHHFOSA-N 0 0 362.476 7.018 40 10 FKCBRN CCCN(CCC)c1ccc(/N=N/c2cc(Cl)ccc2Cl)cc1 ZINC000017721099 570873653 /nfs/dbraw/zinc/87/36/53/570873653.db2.gz NKPKSEWDSKXYNC-QURGRASLSA-N 0 0 350.293 7.035 40 10 FKCBRN O=C(O[C@@H]1CCc2ccccc2C1)c1ccc(/N=N/c2ccccc2)cc1 ZINC000017721494 220217927 /nfs/dbraw/zinc/21/79/27/220217927.db2.gz CXLUPFYKXALWMT-GJQPQMNHSA-N 0 0 356.425 5.816 40 10 FKCBRN CCn1c2ccccc2c2cc(N)c(/N=N/c3ccc([N+](=O)[O-])cc3)cc21 ZINC000017750338 570873677 /nfs/dbraw/zinc/87/36/77/570873677.db2.gz WTQFEDKUNFYXPZ-GHVJWSGMSA-N 0 0 359.389 5.720 40 10 in-vivo FKCBRN COc1cc(-c2ccc(NN=C3C=CC(=O)C(C)=C3)c(OC)c2)ccc1N ZINC000017819272 220216745 /nfs/dbraw/zinc/21/67/45/220216745.db2.gz KFKBFYTZMRHTFU-WCWDXBQESA-N 0 0 363.417 5.382 40 10 FKCBRN Cc1cc(Nc2ccc(NN=C3C=CC(=O)c4ncccc43)cc2)nc(C)n1 ZINC000017836904 220218012 /nfs/dbraw/zinc/21/80/12/220218012.db2.gz UUNGCXMWHCKSED-CYYJNZCTSA-N 0 0 370.416 5.506 40 10 in-vitro FKCBRN O=C(O[C@H]1CCc2ccccc2C1)c1ccc(/N=N/c2ccccc2)cc1 ZINC000017862172 570873706 /nfs/dbraw/zinc/87/37/06/570873706.db2.gz CXLUPFYKXALWMT-ZELUPATCSA-N 0 0 356.425 5.816 40 10 FKCBRN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1cccc2ccccc21 ZINC000017885909 211187808 /nfs/dbraw/zinc/18/78/08/211187808.db2.gz CDGXQVWOZKGXGQ-OCEACIFDSA-N 0 0 351.409 6.508 40 10 FKCBRN c1ccc2c(c1)Cc1cc(/N=N/Nc3ccc4c(c3)Cc3ccccc3-4)ccc1-2 ZINC000017992417 211188081 /nfs/dbraw/zinc/18/80/81/211188081.db2.gz KDTPXAANLHUJIN-UHFFFAOYSA-N 0 0 373.459 6.940 40 10 FKCBRN Brc1ccc(/N=N/c2ccc(/N=N/c3ccccc3)cc2)cc1 ZINC000018006949 220222006 /nfs/dbraw/zinc/22/20/06/220222006.db2.gz ZYWBJIXGFCLOBA-DQPVQCHKSA-N 0 0 365.234 7.280 40 10 FKCBRN O=C1C=CC(=NNc2ccc(N=Nc3ccccc3)cc2)c2ccccc21 ZINC000018007712 570874050 /nfs/dbraw/zinc/87/40/50/570874050.db2.gz MXPUJTRZCSNUQD-QSZPNPOGSA-N 0 0 352.397 7.376 40 10 FKCBRN CCn1c2ccccc2c2cc(NN=C3C=C(C(C)C)C(=O)C=C3C)ccc21 ZINC000018020850 211190240 /nfs/dbraw/zinc/19/02/40/211190240.db2.gz HINJRPQKOZEQFF-OCEACIFDSA-N 0 0 371.484 7.367 40 10 FKCBRN O=C1C=CC(=NNc2ccc3c4c(cccc42)-c2ccccc2-3)c2cccnc21 ZINC000018038037 220221887 /nfs/dbraw/zinc/22/18/87/220221887.db2.gz DMHJOYKBLIGJOS-BYYHNAKLSA-N 0 0 373.415 7.156 40 10 FKCBRN Cc1cc(/N=N/c2ccc(N)cc2)c(C(C)C)cc1/N=N/c1ccc(N)cc1 ZINC000018045234 220221719 /nfs/dbraw/zinc/22/17/19/220221719.db2.gz QIZVKKRGMMKHAB-NBHCHVEOSA-N 0 0 372.476 7.114 40 10 FKCBRN Cc1ccc(/N=N/c2ccc(C)cc2NC(=S)Nc2ccccc2)cc1 ZINC000018062494 220221108 /nfs/dbraw/zinc/22/11/08/220221108.db2.gz HVYNKABCYUDQJC-OCOZRVBESA-N 0 0 360.486 6.528 40 10 FKCBRN Cc1cc([N+](=O)[N-]c2ccccc2)c(C(C)C)cc1[N+](=O)[N-]c1ccccc1 ZINC000018062615 211189409 /nfs/dbraw/zinc/18/94/09/211189409.db2.gz ZMGLKCAKYHDSCY-YPAXQUSRSA-N 0 0 374.444 6.970 40 10 FKCBRN S=C(/N=N/c1ccc2ccccc2c1)NNc1ccc2ccccc2c1 ZINC000018067583 220224072 /nfs/dbraw/zinc/22/40/72/220224072.db2.gz FLGUZMFZUIMISX-WJTDDFOZSA-N 0 0 356.454 5.978 40 10 FKCBRN CCn1c2ccccc2c2cc(/N=N/c3cc(N)ccc3N(C)C)ccc21 ZINC000018082195 220223586 /nfs/dbraw/zinc/22/35/86/220223586.db2.gz PGBHOWADRUJZNY-OCOZRVBESA-N 0 0 357.461 5.878 40 10 FKCBRN c1ccc2c(c1)Cc1cc(N=NNc3ccc4c(c3)-c3ccccc3C4)ccc1-2 ZINC000018082952 207624016 /nfs/dbraw/zinc/62/40/16/207624016.db2.gz MZTGEMCNDJLEDD-UHFFFAOYSA-N 0 0 373.459 6.940 40 10 FKCBRN O=C1C=CC(=NNc2ccc3ccc4cccc5ccc2c3c45)c2cccnc21 ZINC000018087238 207623725 /nfs/dbraw/zinc/62/37/25/207623725.db2.gz GRRCAVFHDNSXCI-BYYHNAKLSA-N 0 0 373.415 7.253 40 10 FKCBRN Cc1nc(N)nc(-c2ccccc2)c1/N=N/c1cc(Cl)cc(Cl)c1 ZINC000018088269 211190028 /nfs/dbraw/zinc/19/00/28/211190028.db2.gz DYJGGDHLSZJBRN-WCWDXBQESA-N 0 0 358.232 5.756 40 10 FKCBRN O=C1c2ccccc2-c2ccc(NN=C3C(=O)C=Cc4ccccc43)cc21 ZINC000018113765 570875167 /nfs/dbraw/zinc/87/51/67/570875167.db2.gz MKQOYENIVZCGJP-OCOZRVBESA-N 0 0 350.377 6.172 40 10 FKCBRN CCn1c2ccccc2c2cc(NN=C3C=CC(=O)c4ccccc43)ccc21 ZINC000018115252 570875231 /nfs/dbraw/zinc/87/52/31/570875231.db2.gz BSKJSSULDLPZDF-OCEACIFDSA-N 0 0 365.436 7.089 40 10 FKCBRN COc1cc(/N=N/c2ccc(N)cc2)c(OC)cc1/N=N/c1ccccc1 ZINC000018118235 570875037 /nfs/dbraw/zinc/87/50/37/570875037.db2.gz WKFHKFUOLMKECO-BQASJOSNSA-N 0 0 361.405 6.117 40 10 FKCBRN COc1cccc(/N=N/c2c(C)n(C(=S)S)nc2-c2ccccc2)c1 ZINC000018128355 570875734 /nfs/dbraw/zinc/87/57/34/570875734.db2.gz UQQRGRIOYPYATH-FMQUCBEESA-N 0 0 368.487 5.345 40 10 FKCBRN Cc1ccc(/N=N/c2cc(C)c(/N=N\c3ccc(C)cc3)cc2C(C)C)cc1 ZINC000018129116 211191834 /nfs/dbraw/zinc/19/18/34/211191834.db2.gz QTASQWUWTPABTK-ZQZMJUSDSA-N 0 0 370.500 8.566 40 10 FKCBRN CCn1c2ccccc2c2cc(NN=C3C=c4ccccc4=CC3=O)ccc21 ZINC000018145381 211191277 /nfs/dbraw/zinc/19/12/77/211191277.db2.gz HLOKNIJURGUYBH-OCEACIFDSA-N 0 0 365.436 7.089 40 10 FKCBRN O=C(Nc1ccccc1)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@@H]21 ZINC000018154666 571319129 /nfs/dbraw/zinc/31/91/29/571319129.db2.gz RSUVBUBFEISLKN-BTYSMDAFSA-N 0 0 368.480 5.092 40 10 FKCBRN Cc1nn(C(=O)c2ccccc2Cl)c(C)c1/N=N/c1cccc(C)c1 ZINC000018166291 211194223 /nfs/dbraw/zinc/19/42/23/211194223.db2.gz JXOBCRBBJRCGPW-QURGRASLSA-N 0 0 352.825 5.566 40 10 FKCBRN COc1ccc(/N=N/c2cc(OC)c(OC)c(OC)c2)c2ccccc12 ZINC000018167977 570876281 /nfs/dbraw/zinc/87/62/81/570876281.db2.gz HALGTPJVECYKNB-QURGRASLSA-N 0 0 352.390 5.290 40 10 FKCBRN CCN(CC)c1ccc(/N=N/c2c(C)nc(N)nc2-c2ccccc2)cc1 ZINC000018168262 220225325 /nfs/dbraw/zinc/22/53/25/220225325.db2.gz OPQXHLRKXHBWAW-OCEACIFDSA-N 0 0 360.465 5.296 40 10 FKCBRN O=C(O[C@@H]1CCCc2ccccc21)c1ccc(/N=N/c2ccccc2)cc1 ZINC000018208264 570876794 /nfs/dbraw/zinc/87/67/94/570876794.db2.gz NEMDJPWNPZCQAM-GJQPQMNHSA-N 0 0 356.425 6.336 40 10 FKCBRN Cc1cc(C)cc(/N=N/c2cc(Br)cc(Br)c2)c1 ZINC000018208286 220228020 /nfs/dbraw/zinc/22/80/20/220228020.db2.gz JXHQZXUZMRYHRZ-ISLYRVAYSA-N 0 0 368.072 6.244 40 10 FKCBRN O=C(O[C@H]1CCCc2ccccc21)c1ccc(/N=N/c2ccccc2)cc1 ZINC000018211783 211195798 /nfs/dbraw/zinc/19/57/98/211195798.db2.gz NEMDJPWNPZCQAM-ZELUPATCSA-N 0 0 356.425 6.336 40 10 FKCBRN O=C(Nc1ccccc1)c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@H]21 ZINC000018268204 132886624 /nfs/dbraw/zinc/88/66/24/132886624.db2.gz RSUVBUBFEISLKN-JWWGGVBKSA-N 0 0 368.480 5.092 40 10 FKCBRN O=C(Nc1cccc2ccccc21)Nc1c2ccccc2nc2ccccc21 ZINC000019015417 570879210 /nfs/dbraw/zinc/87/92/10/570879210.db2.gz RPSMHYFETCHGPZ-UHFFFAOYSA-N 0 0 363.420 6.185 40 10 FKCBRN Cc1ccc([C@@H](NC(=O)C2CCCCC2)c2c(O)ccc3ccccc32)cc1 ZINC000019893063 570874161 /nfs/dbraw/zinc/87/41/61/570874161.db2.gz AOJYUCODXLAKOU-XMMPIXPASA-N 0 0 373.496 5.640 40 10 FKCBRN Cc1ccc([C@H](NC(=O)C2CCCCC2)c2c(O)ccc3ccccc32)cc1 ZINC000019893066 220303133 /nfs/dbraw/zinc/30/31/33/220303133.db2.gz AOJYUCODXLAKOU-DEOSSOPVSA-N 0 0 373.496 5.640 40 10 FKCBRN [O-]c1c(Cl)cc(Cl)cc1C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000019973720 211264490 /nfs/dbraw/zinc/26/44/90/211264490.db2.gz YJZNEHWINAFWEY-UHFFFAOYSA-N 0 0 372.295 5.901 40 10 FKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@@H]21 ZINC000020058209 263377624 /nfs/dbraw/zinc/37/76/24/263377624.db2.gz BMOAONFOCCZGGT-IIDMSEBBSA-N 0 0 356.809 5.083 40 10 FKCBRN CCc1ccccc1N1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S ZINC000020226871 211273841 /nfs/dbraw/zinc/27/38/41/211273841.db2.gz MXJSRPUIVQLCQY-WOJGMQOQSA-N 0 0 364.495 5.136 40 10 FKCBRN CCc1ccc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)cc1 ZINC000020226873 220320087 /nfs/dbraw/zinc/32/00/87/220320087.db2.gz DDIAOCJTVBNSCE-WOJGMQOQSA-N 0 0 364.495 5.136 40 10 FKCBRN Cc1ccc(C)c(N2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)c1 ZINC000020226882 211273637 /nfs/dbraw/zinc/27/36/37/211273637.db2.gz KYFGRUDMSHIUNV-VCHYOVAHSA-N 0 0 364.495 5.191 40 10 FKCBRN O=[N+]([O-])c1cccc2c1N[C@H](c1cccc(Br)c1)[C@@H]1CC=C[C@@H]21 ZINC000020436854 571309710 /nfs/dbraw/zinc/30/97/10/571309710.db2.gz KUIAIEHGRPCIPJ-CKEIUWERSA-N 0 0 371.234 5.184 40 10 FKCBRN CC(C)(C)c1ccc(C2=C/C(=C\c3ccc(Br)o3)C(=O)O2)cc1 ZINC000020468120 220328330 /nfs/dbraw/zinc/32/83/30/220328330.db2.gz RZPPLISXZXZORM-JLHYYAGUSA-N 0 0 373.246 5.321 40 10 FKCBRN CC(C)c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 ZINC000020681010 263381914 /nfs/dbraw/zinc/38/19/14/263381914.db2.gz YXERDCZOTFDDSW-WSTZPKSXSA-N 0 0 368.318 6.399 40 10 FKCBRN CC(C)c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@@H]21 ZINC000020681013 263381360 /nfs/dbraw/zinc/38/13/60/263381360.db2.gz YXERDCZOTFDDSW-QWFCFKBJSA-N 0 0 368.318 6.399 40 10 FKCBRN Clc1cccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@H]32)c1 ZINC000020694896 568015502 /nfs/dbraw/zinc/01/55/02/568015502.db2.gz FQLRDSAYBCDJLX-LBTNJELSSA-N 0 0 350.676 6.473 40 10 FKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21 ZINC000020694914 263381463 /nfs/dbraw/zinc/38/14/63/263381463.db2.gz YFTCBCTVULOCPX-QWQRMKEZSA-N 0 0 356.809 5.083 40 10 FKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@@H]21 ZINC000020694917 263381613 /nfs/dbraw/zinc/38/16/13/263381613.db2.gz YFTCBCTVULOCPX-HBUWYVDXSA-N 0 0 356.809 5.083 40 10 FKCBRN Clc1cccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@H]32)c1 ZINC000020695034 571305114 /nfs/dbraw/zinc/30/51/14/571305114.db2.gz BTMUJNMYBUJECW-CPUCHLNUSA-N 0 0 360.682 5.929 40 10 FKCBRN CC(C)c1ccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@H]32)cc1 ZINC000020697776 571305119 /nfs/dbraw/zinc/30/51/19/571305119.db2.gz VOSCFDGDFMTAJK-LZJOCLMNSA-N 0 0 358.312 6.943 40 10 FKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(C(C)C)cc1)[C@H]1CC=C[C@@H]21 ZINC000020697787 263381506 /nfs/dbraw/zinc/38/15/06/263381506.db2.gz TYYLWFOVPSPULB-LLGFUMIMSA-N 0 0 364.445 5.553 40 10 FKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(C(C)C)cc1)[C@@H]1CC=C[C@@H]21 ZINC000020697789 263381793 /nfs/dbraw/zinc/38/17/93/263381793.db2.gz TYYLWFOVPSPULB-CBGDNZLLSA-N 0 0 364.445 5.553 40 10 FKCBRN CC(C)c1ccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000020697917 570862918 /nfs/dbraw/zinc/86/29/18/570862918.db2.gz RROLBERKZZPWIA-HLIPFELVSA-N 0 0 368.318 6.399 40 10 FKCBRN Clc1cc(Cl)c2c(c1)N[C@H](c1cccc3ccccc31)[C@H]1CC=C[C@@H]21 ZINC000020698606 263381659 /nfs/dbraw/zinc/38/16/59/263381659.db2.gz QVHSYYFCQSKOKA-TVTNDZMWSA-N 0 0 366.291 6.973 40 10 FKCBRN Clc1cc(Cl)c2c(c1)N[C@H](c1cccc3ccccc31)[C@@H]1CC=C[C@@H]21 ZINC000020698609 263381671 /nfs/dbraw/zinc/38/16/71/263381671.db2.gz QVHSYYFCQSKOKA-RADWXHQJSA-N 0 0 366.291 6.973 40 10 FKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cccc3ccccc31)[C@H]1CC=C[C@@H]21 ZINC000020698612 263381664 /nfs/dbraw/zinc/38/16/64/263381664.db2.gz TUCDGTYBJXLTMP-TVTNDZMWSA-N 0 0 372.424 5.583 40 10 FKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cccc3ccccc31)[C@@H]1CC=C[C@@H]21 ZINC000020698615 263381358 /nfs/dbraw/zinc/38/13/58/263381358.db2.gz TUCDGTYBJXLTMP-RADWXHQJSA-N 0 0 372.424 5.583 40 10 FKCBRN Clc1ccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@H]32)cc1 ZINC000020699378 570862916 /nfs/dbraw/zinc/86/29/16/570862916.db2.gz JPWYRCKAGWDFCM-LBTNJELSSA-N 0 0 350.676 6.473 40 10 FKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 ZINC000020699396 263381292 /nfs/dbraw/zinc/38/12/92/263381292.db2.gz QQYZWERYVMKNEH-QWQRMKEZSA-N 0 0 356.809 5.083 40 10 FKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21 ZINC000020699399 263381928 /nfs/dbraw/zinc/38/19/28/263381928.db2.gz QQYZWERYVMKNEH-HBUWYVDXSA-N 0 0 356.809 5.083 40 10 FKCBRN Clc1ccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000020699511 570862925 /nfs/dbraw/zinc/86/29/25/570862925.db2.gz CSXCUGSABUVPLV-CPUCHLNUSA-N 0 0 360.682 5.929 40 10 FKCBRN Clc1cc(Cl)c2c(c1)N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21 ZINC000020700197 263381687 /nfs/dbraw/zinc/38/16/87/263381687.db2.gz FCVJAGPRDJZFDX-SOZUMNATSA-N 0 0 350.676 6.473 40 10 FKCBRN Clc1cc(Cl)c2c(c1)N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@@H]21 ZINC000020700200 263381896 /nfs/dbraw/zinc/38/18/96/263381896.db2.gz FCVJAGPRDJZFDX-FMTVUPSXSA-N 0 0 350.676 6.473 40 10 FKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21 ZINC000020700215 263381760 /nfs/dbraw/zinc/38/17/60/263381760.db2.gz KFBAQHNWFBAPPC-SOZUMNATSA-N 0 0 356.809 5.083 40 10 FKCBRN COc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@@H]21 ZINC000020700218 263381911 /nfs/dbraw/zinc/38/19/11/263381911.db2.gz KFBAQHNWFBAPPC-FMTVUPSXSA-N 0 0 356.809 5.083 40 10 FKCBRN Clc1ccccc1[C@@H]1Nc2c(Br)cccc2[C@@H]2C=CC[C@H]21 ZINC000020700340 571305122 /nfs/dbraw/zinc/30/51/22/571305122.db2.gz OFEUBFOOQUKLIR-PSTGCABASA-N 0 0 360.682 5.929 40 10 FKCBRN Cc1cc(C)c2c(c1)N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 ZINC000020704086 263381412 /nfs/dbraw/zinc/38/14/12/263381412.db2.gz MGGLBXHLUCJOSR-QEEYODRMSA-N 0 0 354.837 5.692 40 10 FKCBRN Cc1cc(C)c2c(c1)N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 ZINC000020704089 263381554 /nfs/dbraw/zinc/38/15/54/263381554.db2.gz MGGLBXHLUCJOSR-STXHMFSFSA-N 0 0 354.837 5.692 40 10 FKCBRN Cc1ccc(C)c2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 ZINC000020704092 263381381 /nfs/dbraw/zinc/38/13/81/263381381.db2.gz PDQUCQHVEIZJIT-QEEYODRMSA-N 0 0 354.837 5.692 40 10 FKCBRN Cc1ccc(C)c2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 ZINC000020704095 571305112 /nfs/dbraw/zinc/30/51/12/571305112.db2.gz PDQUCQHVEIZJIT-AUSJPIAWSA-N 0 0 354.837 5.692 40 10 FKCBRN Cc1ccc(C)c2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 ZINC000020704098 263381321 /nfs/dbraw/zinc/38/13/21/263381321.db2.gz PDQUCQHVEIZJIT-STXHMFSFSA-N 0 0 354.837 5.692 40 10 FKCBRN Cc1ccc(C)c2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 ZINC000020704101 571305052 /nfs/dbraw/zinc/30/50/52/571305052.db2.gz PDQUCQHVEIZJIT-BXTJHSDWSA-N 0 0 354.837 5.692 40 10 FKCBRN Cc1ccc2c(c1C)N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 ZINC000020704289 263381685 /nfs/dbraw/zinc/38/16/85/263381685.db2.gz NDVQGAJANIDCKE-QEEYODRMSA-N 0 0 354.837 5.692 40 10 FKCBRN Cc1ccc2c(c1C)N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 ZINC000020704292 263381932 /nfs/dbraw/zinc/38/19/32/263381932.db2.gz NDVQGAJANIDCKE-STXHMFSFSA-N 0 0 354.837 5.692 40 10 FKCBRN COc1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 ZINC000020704319 263381833 /nfs/dbraw/zinc/38/18/33/263381833.db2.gz KMQYXFNTSPWNIN-FHSNZYRGSA-N 0 0 356.809 5.083 40 10 FKCBRN COc1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 ZINC000020704322 263381826 /nfs/dbraw/zinc/38/18/26/263381826.db2.gz KMQYXFNTSPWNIN-SNUQEOBHSA-N 0 0 356.809 5.083 40 10 FKCBRN CCOc1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 ZINC000020704325 263381669 /nfs/dbraw/zinc/38/16/69/263381669.db2.gz NBQRVVJRPYGTKS-BIENJYKASA-N 0 0 370.836 5.473 40 10 FKCBRN CCOc1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 ZINC000020704328 263381451 /nfs/dbraw/zinc/38/14/51/263381451.db2.gz NBQRVVJRPYGTKS-PJIJBLCYSA-N 0 0 370.836 5.473 40 10 FKCBRN CC(C)c1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 ZINC000020704608 263381942 /nfs/dbraw/zinc/38/19/42/263381942.db2.gz IPVUAZHJTSNLBK-GQIGUUNPSA-N 0 0 368.864 6.198 40 10 FKCBRN CC(C)c1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 ZINC000020704611 263381307 /nfs/dbraw/zinc/38/13/07/263381307.db2.gz IPVUAZHJTSNLBK-JXXFODFXSA-N 0 0 368.864 6.198 40 10 FKCBRN CC(C)c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@@H]21 ZINC000020706218 263381461 /nfs/dbraw/zinc/38/14/61/263381461.db2.gz SOLTYQCYFNYXFZ-WJPUGNRLSA-N 0 0 368.864 6.198 40 10 FKCBRN CC(C)c1cccc2c1N[C@H](c1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC=C[C@@H]21 ZINC000020706221 263381335 /nfs/dbraw/zinc/38/13/35/263381335.db2.gz SOLTYQCYFNYXFZ-XPIZARPCSA-N 0 0 368.864 6.198 40 10 FKCBRN Clc1cccc([C@@H]2Nc3c4ccccc4ccc3[C@@H]3C=CC[C@H]32)c1Cl ZINC000020711196 571305056 /nfs/dbraw/zinc/30/50/56/571305056.db2.gz CNJFWWJLRYLOSA-XCGNWRKASA-N 0 0 366.291 6.973 40 10 FKCBRN COC(=O)c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21 ZINC000020711511 263381877 /nfs/dbraw/zinc/38/18/77/263381877.db2.gz YJCMDXYKCXXEDP-SOZUMNATSA-N 0 0 374.267 5.607 40 10 FKCBRN COC(=O)c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21 ZINC000020711514 263381375 /nfs/dbraw/zinc/38/13/75/263381375.db2.gz YJCMDXYKCXXEDP-FMTVUPSXSA-N 0 0 374.267 5.607 40 10 FKCBRN CCOc1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21 ZINC000020711529 263381354 /nfs/dbraw/zinc/38/13/54/263381354.db2.gz YEWQZHUMNOVWLJ-NQCMUKECSA-N 0 0 360.284 6.219 40 10 FKCBRN CCOc1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21 ZINC000020711532 263381341 /nfs/dbraw/zinc/38/13/41/263381341.db2.gz YEWQZHUMNOVWLJ-VPZZIHKRSA-N 0 0 360.284 6.219 40 10 FKCBRN Cc1ccc(Cl)c2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21 ZINC000020711652 263381693 /nfs/dbraw/zinc/38/16/93/263381693.db2.gz BPSSMQUVNHVDGB-UFYHVXEKSA-N 0 0 364.703 6.782 40 10 FKCBRN Cc1ccc(Cl)c2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21 ZINC000020711655 263381276 /nfs/dbraw/zinc/38/12/76/263381276.db2.gz BPSSMQUVNHVDGB-CLUVUEOHSA-N 0 0 364.703 6.782 40 10 FKCBRN CC(C)c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21 ZINC000020711798 263381436 /nfs/dbraw/zinc/38/14/36/263381436.db2.gz AMPXBQDXZRBFLF-HTZUNMPGSA-N 0 0 358.312 6.943 40 10 FKCBRN CC(C)c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21 ZINC000020711801 263381438 /nfs/dbraw/zinc/38/14/38/263381438.db2.gz AMPXBQDXZRBFLF-PXARDIRTSA-N 0 0 358.312 6.943 40 10 FKCBRN Cc1c(Cl)ccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21 ZINC000020712224 263381579 /nfs/dbraw/zinc/38/15/79/263381579.db2.gz RLQCCKHBGMEWKY-NQCMUKECSA-N 0 0 364.703 6.782 40 10 FKCBRN Cc1c(Cl)ccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@@H]21 ZINC000020712226 263381720 /nfs/dbraw/zinc/38/17/20/263381720.db2.gz RLQCCKHBGMEWKY-VPZZIHKRSA-N 0 0 364.703 6.782 40 10 FKCBRN CCOc1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21 ZINC000020712357 263381497 /nfs/dbraw/zinc/38/14/97/263381497.db2.gz FVYCDJBHVDVYHS-TYILLQQXSA-N 0 0 360.284 6.219 40 10 FKCBRN CCOc1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@@H]21 ZINC000020712360 263381839 /nfs/dbraw/zinc/38/18/39/263381839.db2.gz FVYCDJBHVDVYHS-LPMFXHHGSA-N 0 0 360.284 6.219 40 10 FKCBRN Cc1ccc(Cl)c2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21 ZINC000020712460 263381607 /nfs/dbraw/zinc/38/16/07/263381607.db2.gz QIWYQPPZSBTPQD-NQCMUKECSA-N 0 0 364.703 6.782 40 10 FKCBRN Cc1ccc(Cl)c2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@@H]21 ZINC000020712463 263381530 /nfs/dbraw/zinc/38/15/30/263381530.db2.gz QIWYQPPZSBTPQD-VPZZIHKRSA-N 0 0 364.703 6.782 40 10 FKCBRN CC(C)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21 ZINC000020712605 263381589 /nfs/dbraw/zinc/38/15/89/263381589.db2.gz AXIDSNMWKXVTMU-WJPUGNRLSA-N 0 0 358.312 6.943 40 10 FKCBRN CC(C)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@@H]21 ZINC000020712608 263381489 /nfs/dbraw/zinc/38/14/89/263381489.db2.gz AXIDSNMWKXVTMU-XPIZARPCSA-N 0 0 358.312 6.943 40 10 FKCBRN COc1ccccc1[C@@H]1Nc2c(Br)cccc2[C@@H]2C=CC[C@H]21 ZINC000020749228 570862913 /nfs/dbraw/zinc/86/29/13/570862913.db2.gz CZCIWHCRVQMMQK-SNUQEOBHSA-N 0 0 356.263 5.284 40 10 FKCBRN COc1cccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@H]32)c1 ZINC000020755065 570862917 /nfs/dbraw/zinc/86/29/17/570862917.db2.gz HPIGMRPEKAZGKV-MDZRGWNJSA-N 0 0 356.263 5.284 40 10 FKCBRN COc1cccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@H]32)c1 ZINC000020755285 571305092 /nfs/dbraw/zinc/30/50/92/571305092.db2.gz IOSZSFCZHHBMHK-RKVPGOIHSA-N 0 0 356.263 5.284 40 10 FKCBRN O=C1OC(c2ccc(-c3ccccc3)cc2)=C/C1=C\c1cccc2ccccc12 ZINC000021006041 263382995 /nfs/dbraw/zinc/38/29/95/263382995.db2.gz GVXAXSHAACRGIL-JJIBRWJFSA-N 0 0 374.439 6.488 40 10 FKCBRN Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000025765564 571048877 /nfs/dbraw/zinc/04/88/77/571048877.db2.gz RXIMOXYXEGKGSH-WCWDXBQESA-N 0 0 361.449 5.024 40 10 FKCBRN CCCn1c(-c2ccc(Cl)cc2Cl)csc1=Nc1ccccc1 ZINC000026570016 571006769 /nfs/dbraw/zinc/00/67/69/571006769.db2.gz BQUOKEKSWAUABQ-UHFFFAOYSA-O 0 0 364.321 6.163 40 10 FKCBRN CCn1c(-c2ccc(Br)cc2)csc1=Nc1ccc(C)cc1 ZINC000026570097 571006495 /nfs/dbraw/zinc/00/64/95/571006495.db2.gz IOPBXWVGCLFARM-UHFFFAOYSA-O 0 0 374.327 5.537 40 10 FKCBRN Clc1ccc(-c2csc(=Nc3ccccc3)n2Cc2ccco2)cc1 ZINC000026570124 571006603 /nfs/dbraw/zinc/00/66/03/571006603.db2.gz XSZSPGUINNFXLF-UHFFFAOYSA-O 0 0 367.881 5.741 40 10 FKCBRN CCn1c(-c2ccccc2)c(C)sc1=Nc1cccc(C(F)(F)F)c1 ZINC000026570147 571006762 /nfs/dbraw/zinc/00/67/62/571006762.db2.gz YQSRSVBDZYZHNO-UHFFFAOYSA-O 0 0 363.428 5.793 40 10 FKCBRN Cc1cccc(N[C@@H](c2cccnc2)c2ccc3cccnc3c2O)c1C ZINC000027644814 210162912 /nfs/dbraw/zinc/16/29/12/210162912.db2.gz NWOUQMSWMBOVBT-NRFANRHFSA-N 0 0 355.441 5.154 40 10 FKCBRN Cc1cccc(N[C@H](c2cccnc2)c2ccc3cccnc3c2O)c1C ZINC000027644821 571149883 /nfs/dbraw/zinc/14/98/83/571149883.db2.gz NWOUQMSWMBOVBT-OAQYLSRUSA-N 0 0 355.441 5.154 40 10 FKCBRN CN(C)c1ccc(/C=C\C=C2/c3ccccc3-c3ccc([N+](=O)[O-])cc32)cc1 ZINC000031623601 220640149 /nfs/dbraw/zinc/64/01/49/220640149.db2.gz VRBVHIFZPBEJLT-CWSIBSFJSA-N 0 0 368.436 5.786 40 10 FKCBRN COc1ccc(-c2csc(NCc3c(O)ccc4ccccc43)n2)cc1 ZINC000032115685 571056879 /nfs/dbraw/zinc/05/68/79/571056879.db2.gz FVSXSMMAHVCHDV-UHFFFAOYSA-N 0 0 362.454 5.290 40 10 FKCBRN COc1cc(/C=C2/C=C(c3ccc(Cl)cc3)OC2=O)ccc1OC(C)C ZINC000032139009 204926194 /nfs/dbraw/zinc/92/61/94/204926194.db2.gz XJMXTYGIMUDHHH-YBEGLDIGSA-N 0 0 370.832 5.117 40 10 FKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 ZINC000032193808 571057362 /nfs/dbraw/zinc/05/73/62/571057362.db2.gz WFQUMDLRPKUCIE-UYRXBGFRSA-N 0 0 362.816 5.406 40 10 FKCBRN Cc1cccc(N2C(=O)/C(=C\c3c(F)cccc3Cl)SC2=S)c1 ZINC000033303593 571084499 /nfs/dbraw/zinc/08/44/99/571084499.db2.gz CDYFYSKZXYDUHZ-OQLLNIDSSA-N 0 0 363.866 5.193 40 10 FKCBRN CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\C=C/c1ccccc1 ZINC000033341732 571064129 /nfs/dbraw/zinc/06/41/29/571064129.db2.gz YESRHGAJJNNSLQ-JVHYXRFZSA-N 0 0 356.347 5.068 40 10 FKCBRN O=C1/C(=C\C=C/c2ccccc2)SC(=S)N1c1ccc(Cl)cc1 ZINC000033446380 571084851 /nfs/dbraw/zinc/08/48/51/571084851.db2.gz AMUQXRPGNXKDGZ-WLTDFXCXSA-N 0 0 357.887 5.302 40 10 FKCBRN O=C1/C(=C\c2c(F)cccc2Cl)SC(=S)N1c1cccc(F)c1 ZINC000033574854 263395815 /nfs/dbraw/zinc/39/58/15/263395815.db2.gz SDFTVFCUOPICDA-RIYZIHGNSA-N 0 0 367.829 5.024 40 10 FKCBRN CCCOc1cccc(C=C2SC(Nc3ccc(Cl)cc3)=NC2=O)c1 ZINC000033575533 571309647 /nfs/dbraw/zinc/30/96/47/571309647.db2.gz YCHHWUJQAXUDQQ-ATVHPVEESA-N 0 0 372.877 5.211 40 10 FKCBRN CCN1C(=O)/C(=C\c2ccccc2Sc2ccccc2)SC1=S ZINC000033667083 568192100 /nfs/dbraw/zinc/19/21/00/568192100.db2.gz KJCXEFCGCVQHKZ-FOWTUZBSSA-N 0 0 357.525 5.059 40 10 FKCBRN Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@H](c1cccc3ccccc31)N2 ZINC000033681182 571309801 /nfs/dbraw/zinc/30/98/01/571309801.db2.gz ZAGGCRKXPXSKSK-XQFWAAQXSA-N 0 0 370.452 6.191 40 10 FKCBRN O=C1OC(c2ccc(F)cc2)=C/C1=C/c1ccccc1OCc1ccccc1 ZINC000033767901 571066523 /nfs/dbraw/zinc/06/65/23/571066523.db2.gz LIOYOPUNOJNDAS-ZHZULCJRSA-N 0 0 372.395 5.386 40 10 FKCBRN COc1ccccc1/C=C1\C=C(c2ccc(Oc3ccccc3)cc2)OC1=O ZINC000033818221 571309795 /nfs/dbraw/zinc/30/97/95/571309795.db2.gz YXMSBXKOQVAZFT-XDJHFCHBSA-N 0 0 370.404 5.469 40 10 FKCBRN COc1cccc(/C=C2\C=C(c3ccc(Oc4ccccc4)cc3)OC2=O)c1 ZINC000033818222 263397267 /nfs/dbraw/zinc/39/72/67/263397267.db2.gz SRANWEGCPFVRCG-XMHGGMMESA-N 0 0 370.404 5.469 40 10 FKCBRN O=C1OC(c2ccc(Oc3ccccc3)cc2)=C/C1=C\c1ccc(Cl)cc1 ZINC000033818225 571309804 /nfs/dbraw/zinc/30/98/04/571309804.db2.gz WUFILFSSMGXJSX-NBVRZTHBSA-N 0 0 374.823 6.114 40 10 FKCBRN Cc1cc(C=C2SC(Nc3cccc(Cl)c3C)=NC2=O)cc(C)c1O ZINC000035084894 570511557 /nfs/dbraw/zinc/51/15/57/570511557.db2.gz QLBFDPPXTGRTGL-SXGWCWSVSA-N 0 0 372.877 5.053 40 10 FKCBRN COc1ccccc1NC1=NC(=O)C(=Cc2ccc(C(C)(C)C)cc2)S1 ZINC000035339425 570642717 /nfs/dbraw/zinc/64/27/17/570642717.db2.gz JAXFLDJNOKHRGV-AQTBWJFISA-N 0 0 366.486 5.075 40 10 FKCBRN CCOc1ccc(N2C(=O)/C(=C/C=C\c3ccccc3)SC2=S)cc1 ZINC000035624536 204331545 /nfs/dbraw/zinc/33/15/45/204331545.db2.gz RPMZLHSHJZZONC-BRMXFPEKSA-N 0 0 367.495 5.047 40 10 FKCBRN O=C1N=C(Nc2ccc(Cl)cc2)SC1=Cc1cccc2ccccc12 ZINC000035624691 570681626 /nfs/dbraw/zinc/68/16/26/570681626.db2.gz WXKRUSSVUJJVBH-PDGQHHTCSA-N 0 0 364.857 5.576 40 10 FKCBRN COC(=O)c1c(/C=C/c2cc(C)n(-c3ccccc3)c2C)cccc1OC ZINC000035973551 571169611 /nfs/dbraw/zinc/16/96/11/571169611.db2.gz MAUUHAHDRWQRFI-BUHFOSPRSA-N 0 0 361.441 5.060 40 10 FKCBRN C[C@]12CC[C@@H]3[C@@]1(C(=O)Nc1ccc(/N=N/c4ccccc4)cc1)OC[C@@]32C ZINC000035982659 571079042 /nfs/dbraw/zinc/07/90/42/571079042.db2.gz DOYLTBIQGRSLTM-UQSHUNQZSA-N 0 0 361.445 5.246 40 10 FKCBRN Cc1ccc(C)c2c1N[C@@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21 ZINC000036081169 571306111 /nfs/dbraw/zinc/30/61/11/571306111.db2.gz QWPSVUAZEHKQIF-UWVAXJGDSA-N 0 0 354.291 5.892 40 10 FKCBRN Cc1ccc(C)c2c1N[C@@H](c1ccc3c4c(cccc41)CC3)[C@H]1CC=C[C@@H]21 ZINC000036081189 571306183 /nfs/dbraw/zinc/30/61/83/571306183.db2.gz XHJJDSDRBWFFSG-BNIKKZEQSA-N 0 0 351.493 6.382 40 10 FKCBRN CC(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000036081251 571306180 /nfs/dbraw/zinc/30/61/80/571306180.db2.gz UIJHTFCPGVEKHN-XFQAVAEZSA-N 0 0 358.312 6.943 40 10 FKCBRN COc1ccc(C)c2c1N[C@@H](c1ccc3c4c(cccc41)CC3)[C@H]1CC=C[C@@H]21 ZINC000036081331 571306154 /nfs/dbraw/zinc/30/61/54/571306154.db2.gz TUUVGGFCZCUJFI-KNOQFWTLSA-N 0 0 367.492 6.082 40 10 FKCBRN CC(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2 ZINC000036081485 571306082 /nfs/dbraw/zinc/30/60/82/571306082.db2.gz LQAJCKYYDIJYNE-LRAJWGHMSA-N 0 0 358.312 6.943 40 10 FKCBRN Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3c4c(cccc41)CC3)N2 ZINC000036081555 571306129 /nfs/dbraw/zinc/30/61/29/571306129.db2.gz OBGIXQCCWUJLPW-BNIKKZEQSA-N 0 0 351.493 6.382 40 10 FKCBRN COc1ccc([C@@H]2Nc3ccc(C(C)C)cc3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] ZINC000036081837 571306092 /nfs/dbraw/zinc/30/60/92/571306092.db2.gz LITPMOXOKQYFDG-JLHGSKIFSA-N 0 0 364.445 5.553 40 10 FKCBRN COc1ccc([C@@H]2Nc3c(C)cc(C)cc3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] ZINC000036081863 571306188 /nfs/dbraw/zinc/30/61/88/571306188.db2.gz YDQLWKZQUYOLQV-XFQAVAEZSA-N 0 0 350.418 5.047 40 10 FKCBRN CC(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3c4c(cccc41)CC3)N2 ZINC000036082002 571306103 /nfs/dbraw/zinc/30/61/03/571306103.db2.gz FRJLSVXGZFHAAJ-SBQVMTCPSA-N 0 0 365.520 6.888 40 10 FKCBRN COc1ccc(Br)cc1[C@@H]1Nc2ccc(C)cc2[C@@H]2C=CC[C@@H]21 ZINC000036082013 571306089 /nfs/dbraw/zinc/30/60/89/571306089.db2.gz ZMSVSITVLQFIED-QEEYODRMSA-N 0 0 370.290 5.593 40 10 FKCBRN COc1ccc(C)c2c1N[C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@@H]21 ZINC000036082078 571306098 /nfs/dbraw/zinc/30/60/98/571306098.db2.gz ASTZYKHKLZIDCM-TYILLQQXSA-N 0 0 360.284 6.137 40 10 FKCBRN CC(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Br)c1)N2 ZINC000036082132 571306178 /nfs/dbraw/zinc/30/61/78/571306178.db2.gz LYLQOFSKKGPFAP-LQWHRVPQSA-N 0 0 368.318 6.399 40 10 FKCBRN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3c4c(cccc41)CC3)N2 ZINC000036082195 571306143 /nfs/dbraw/zinc/30/61/43/571306143.db2.gz XAODWVDDEOFPNZ-BNIKKZEQSA-N 0 0 365.476 5.968 40 10 FKCBRN CC(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000036082404 571306161 /nfs/dbraw/zinc/30/61/61/571306161.db2.gz WVRTZCMZUGVVSH-VWKPWSFCSA-N 0 0 368.864 6.198 40 10 FKCBRN CC(C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000036082408 571306123 /nfs/dbraw/zinc/30/61/23/571306123.db2.gz RNIQLOJCQOMNIM-LQWHRVPQSA-N 0 0 368.318 6.399 40 10 FKCBRN COc1ccc2ccccc2c1/C=C1\C=C(c2cc(C)ccc2C)OC1=O ZINC000036089880 204360561 /nfs/dbraw/zinc/36/05/61/204360561.db2.gz BKKZPECRIRBKTP-QGOAFFKASA-N 0 0 356.421 5.447 40 10 FKCBRN O=C1OC(c2ccc(-c3ccccc3)cc2)=C/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000036453493 570696778 /nfs/dbraw/zinc/69/67/78/570696778.db2.gz AIOVRJYNBGPWOF-DEDYPNTBSA-N 0 0 369.376 5.243 40 10 FKCBRN O=[N+]([O-])c1ccc([C@@H](Nc2ccccc2)c2ccc3cccnc3c2O)cc1 ZINC000037868625 571084312 /nfs/dbraw/zinc/08/43/12/571084312.db2.gz IEHZRRMDWJJZBT-HXUWFJFHSA-N 0 0 371.396 5.050 40 10 in-vitro FKCBRN CCCCCCOc1ccccc1/C=C1\C(=O)N(c2ccccc2)N=C1C ZINC000039420249 204871066 /nfs/dbraw/zinc/87/10/66/204871066.db2.gz GNOLFTSPWPHUEC-FXBPSFAMSA-N 0 0 362.473 5.452 40 10 FKCBRN CCc1ccc(NC2=NC(=O)C(=Cc3ccc(C(C)C)cc3)S2)cc1 ZINC000039870227 571024499 /nfs/dbraw/zinc/02/44/99/571024499.db2.gz PGKGEODZDZFDQL-UYRXBGFRSA-N 0 0 350.487 5.455 40 10 FKCBRN O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1Cc1ccccc1 ZINC000043120170 570524370 /nfs/dbraw/zinc/52/43/70/570524370.db2.gz CIRXWNHSGWBYGE-RCCKNPSSSA-N 0 0 371.867 5.807 40 10 FKCBRN O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc(Cl)cc1Cl ZINC000043122497 220945578 /nfs/dbraw/zinc/94/55/78/220945578.db2.gz ULFTVCOPVQKITR-KPKJPENVSA-N 0 0 351.616 5.628 40 10 FKCBRN COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000049055138 206086032 /nfs/dbraw/zinc/08/60/32/206086032.db2.gz QYSUPMKNRYYPJO-TYILLQQXSA-N 0 0 374.267 5.607 40 10 FKCBRN O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(Cl)cc(Cl)cc2[C@@H]2C=CC[C@@H]21 ZINC000058837615 571087110 /nfs/dbraw/zinc/08/71/10/571087110.db2.gz UTLUIOYJERGFRT-BWACUDIHSA-N 0 0 361.228 5.728 40 10 FKCBRN Cc1ccc(C)n1-c1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1 ZINC000058850392 263415910 /nfs/dbraw/zinc/41/59/10/263415910.db2.gz QILDQWBTMGSTNI-UHFFFAOYSA-N 0 0 368.502 5.018 40 10 FKCBRN Fc1cccc(Cl)c1[C@@H]1Nc2c(Cl)cc(Cl)cc2[C@@H]2C=CC[C@@H]21 ZINC000058850621 263415958 /nfs/dbraw/zinc/41/59/58/263415958.db2.gz AWIADWKEPVZPEW-LIBAHTEVSA-N 0 0 368.666 6.612 40 10 FKCBRN CSc1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000058850624 571086091 /nfs/dbraw/zinc/08/60/91/571086091.db2.gz PDWBWRTXOUSPEG-VKJFTORMSA-N 0 0 362.325 6.542 40 10 FKCBRN Fc1cccc(Cl)c1[C@@H]1Nc2c(Cl)c(Cl)ccc2[C@@H]2C=CC[C@@H]21 ZINC000058850649 263415866 /nfs/dbraw/zinc/41/58/66/263415866.db2.gz OEZOVTHJMKOKDF-GPHJXTMHSA-N 0 0 368.666 6.612 40 10 FKCBRN CSc1ccc([C@@H]2Nc3c(Cl)c(Cl)ccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000058850652 263415529 /nfs/dbraw/zinc/41/55/29/263415529.db2.gz GLTMBTTVILXTAZ-GLJUWKHASA-N 0 0 362.325 6.542 40 10 FKCBRN Fc1cccc(Cl)c1[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@@H]2C=CC[C@@H]21 ZINC000058850675 571085935 /nfs/dbraw/zinc/08/59/35/571085935.db2.gz KMLSZTAJCCXERD-GPHJXTMHSA-N 0 0 368.666 6.612 40 10 FKCBRN CSc1ccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000058850679 571085945 /nfs/dbraw/zinc/08/59/45/571085945.db2.gz OSOLQMWKWHKGOH-GLJUWKHASA-N 0 0 362.325 6.542 40 10 FKCBRN CSc1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000058850700 571085958 /nfs/dbraw/zinc/08/59/58/571085958.db2.gz QRUVNQQDXTVMQH-GJYPPUQNSA-N 0 0 372.331 5.998 40 10 FKCBRN Clc1cccc2c1N[C@@H](c1ccccc1Br)[C@H]1CC=C[C@@H]21 ZINC000058850724 571086089 /nfs/dbraw/zinc/08/60/89/571086089.db2.gz ADLBXQDLSQHNAY-BWACUDIHSA-N 0 0 360.682 5.929 40 10 FKCBRN COC(=O)c1cccc2c1N[C@@H](c1c(F)cccc1Cl)[C@H]1CC=C[C@@H]21 ZINC000058850743 571085982 /nfs/dbraw/zinc/08/59/82/571085982.db2.gz ULTGYJHGFJWJTM-MJLGCCKJSA-N 0 0 357.812 5.092 40 10 FKCBRN COC(=O)c1cccc2c1N[C@@H](c1ccc(SC)cc1)[C@H]1CC=C[C@@H]21 ZINC000058850749 263415681 /nfs/dbraw/zinc/41/56/81/263415681.db2.gz HHDZVBPVQVTEIQ-GJYPPUQNSA-N 0 0 351.471 5.022 40 10 FKCBRN CCOC(=O)c1cccc2c1N[C@@H](c1c(F)cccc1Cl)[C@H]1CC=C[C@@H]21 ZINC000058850776 571085941 /nfs/dbraw/zinc/08/59/41/571085941.db2.gz BCRNHKBEYGXNBW-TVSHIAKJSA-N 0 0 371.839 5.482 40 10 FKCBRN CCOC(=O)c1cccc2c1N[C@@H](c1ccc(SC)cc1)[C@H]1CC=C[C@@H]21 ZINC000058850779 571085921 /nfs/dbraw/zinc/08/59/21/571085921.db2.gz ZJRHBBCDEAEOFO-UWVAXJGDSA-N 0 0 365.498 5.412 40 10 FKCBRN CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(F)cccc1Cl)N2 ZINC000058850797 571086044 /nfs/dbraw/zinc/08/60/44/571086044.db2.gz JKGSBDMEEGMNCT-LAPQFRIASA-N 0 0 371.839 5.482 40 10 FKCBRN COc1ccc(Cl)c2c1N[C@@H](c1c(F)cccc1Cl)[C@H]1CC=C[C@@H]21 ZINC000058850854 571086074 /nfs/dbraw/zinc/08/60/74/571086074.db2.gz JPEPYPNENSKHAL-LIBAHTEVSA-N 0 0 364.247 5.968 40 10 FKCBRN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Br)N2 ZINC000058850951 571086002 /nfs/dbraw/zinc/08/60/02/571086002.db2.gz RZCCFXYQDJNKDT-QEEYODRMSA-N 0 0 368.274 5.478 40 10 FKCBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Br)N2 ZINC000058850969 571085995 /nfs/dbraw/zinc/08/59/95/571085995.db2.gz KABOOIOACVQFFF-FHSNZYRGSA-N 0 0 371.234 5.184 40 10 FKCBRN Clc1cc(Cl)c2c(c1Cl)[C@@H]1C=CC[C@@H]1[C@H](c1ccccn1)N2 ZINC000058851059 571086093 /nfs/dbraw/zinc/08/60/93/571086093.db2.gz KGKAGERYSXMGRR-KCWFYHRYSA-N 0 0 351.664 5.868 40 10 FKCBRN Clc1cc(Cl)c2c(c1Cl)[C@@H]1C=CC[C@@H]1[C@H](c1cccnc1)N2 ZINC000058851064 571085911 /nfs/dbraw/zinc/08/59/11/571085911.db2.gz VXMCNOSFLPQVHQ-GDLVEWKHSA-N 0 0 351.664 5.868 40 10 FKCBRN Clc1cc(Cl)c2c(c1Cl)[C@@H]1C=CC[C@@H]1[C@H](c1ccncc1)N2 ZINC000058851072 571086037 /nfs/dbraw/zinc/08/60/37/571086037.db2.gz HJCXXORKWLKVKP-GDLVEWKHSA-N 0 0 351.664 5.868 40 10 FKCBRN Clc1cc(Cl)c2c(c1Cl)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2 ZINC000058851236 263415863 /nfs/dbraw/zinc/41/58/63/263415863.db2.gz DIQYAKNUSPIFKK-PEBVRCNWSA-N 0 0 350.676 6.473 40 10 FKCBRN Cc1ccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000058851241 571085999 /nfs/dbraw/zinc/08/59/99/571085999.db2.gz ZEXHNFGSXZZGFE-VBHSOAQHSA-N 0 0 364.703 6.782 40 10 FKCBRN Cc1cccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)c1 ZINC000058851245 263415756 /nfs/dbraw/zinc/41/57/56/263415756.db2.gz UKLNMUSGEKRFIA-VBHSOAQHSA-N 0 0 364.703 6.782 40 10 FKCBRN Fc1ccccc1[C@@H]1Nc2c(Cl)cc(Cl)c(Cl)c2[C@@H]2C=CC[C@@H]21 ZINC000058851258 263416006 /nfs/dbraw/zinc/41/60/06/263416006.db2.gz CWTRDVKHRMZMDP-GPHJXTMHSA-N 0 0 368.666 6.612 40 10 FKCBRN Fc1ccc([C@@H]2Nc3c(Cl)cc(Cl)c(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000058851261 571086439 /nfs/dbraw/zinc/08/64/39/571086439.db2.gz QETNSWFCPWPBKS-PEBVRCNWSA-N 0 0 368.666 6.612 40 10 FKCBRN C1=C[C@H]2c3ccccc3N[C@@H](c3ccc(OCc4ccccc4)cc3)[C@H]2C1 ZINC000058928482 263416439 /nfs/dbraw/zinc/41/64/39/263416439.db2.gz LWIFHQKWFKPBBL-RSEQLOHWSA-N 0 0 353.465 6.092 40 10 FKCBRN Cc1ccc(COc2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000058928496 571087051 /nfs/dbraw/zinc/08/70/51/571087051.db2.gz MBJXCQQGCJZHPR-GVUKDKGQSA-N 0 0 367.492 6.401 40 10 FKCBRN COc1cc([C@@H]2Nc3cc(C)cc(C)c3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC ZINC000058928554 571087045 /nfs/dbraw/zinc/08/70/45/571087045.db2.gz XCSQYGAELDSLSY-JLHGSKIFSA-N 0 0 365.473 5.156 40 10 FKCBRN Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2 ZINC000058928941 571086892 /nfs/dbraw/zinc/08/68/92/571086892.db2.gz YXXPNRDMMSTGKC-TYILLQQXSA-N 0 0 354.837 5.692 40 10 FKCBRN O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2 ZINC000058929032 571086904 /nfs/dbraw/zinc/08/69/04/571086904.db2.gz TVJQEJGRWKSLRU-RLFDGXBXSA-N 0 0 361.228 5.728 40 10 FKCBRN O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 ZINC000058929036 571086897 /nfs/dbraw/zinc/08/68/97/571086897.db2.gz TVJQEJGRWKSLRU-VGTOOOLASA-N 0 0 361.228 5.728 40 10 FKCBRN O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000058929038 571086915 /nfs/dbraw/zinc/08/69/15/571086915.db2.gz PWQKQPOSLYZVJL-IIYDPXPESA-N 0 0 361.228 5.728 40 10 FKCBRN O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2 ZINC000058929042 571087020 /nfs/dbraw/zinc/08/70/20/571087020.db2.gz PWQKQPOSLYZVJL-IGCXYCKISA-N 0 0 361.228 5.728 40 10 FKCBRN O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000058929046 571086899 /nfs/dbraw/zinc/08/68/99/571086899.db2.gz RICLEOUKFNMYLV-IIYDPXPESA-N 0 0 361.228 5.728 40 10 FKCBRN O=[N+]([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000058929050 571087005 /nfs/dbraw/zinc/08/70/05/571087005.db2.gz RICLEOUKFNMYLV-IGCXYCKISA-N 0 0 361.228 5.728 40 10 FKCBRN COc1cccc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@@H]32)c1 ZINC000058929091 571086990 /nfs/dbraw/zinc/08/69/90/571086990.db2.gz PUJMGXHNMGQAIG-GLJUWKHASA-N 0 0 356.809 5.083 40 10 FKCBRN O=[N+]([O-])c1cccc2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@@H]21 ZINC000058929328 571086909 /nfs/dbraw/zinc/08/69/09/571086909.db2.gz QUSVJTWZNWNNMW-BWACUDIHSA-N 0 0 361.228 5.728 40 10 FKCBRN O=[N+]([O-])c1cccc2c1N[C@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@@H]21 ZINC000058929366 571087025 /nfs/dbraw/zinc/08/70/25/571087025.db2.gz DHLQNEXWOJUUEP-PEBVRCNWSA-N 0 0 360.335 5.440 40 10 FKCBRN COc1cccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1 ZINC000058929475 571086918 /nfs/dbraw/zinc/08/69/18/571086918.db2.gz FOHWHPLWIIVSQE-SLSDLSHTSA-N 0 0 353.465 6.189 40 10 FKCBRN CCN(CC)c1ccc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc1 ZINC000059186142 263417909 /nfs/dbraw/zinc/41/79/09/263417909.db2.gz GPWTTYMZXDBISF-BOPFTXTBSA-N 0 0 360.379 5.044 40 10 FKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2c2ccccc2Cl)cc1 ZINC000059230293 571088527 /nfs/dbraw/zinc/08/85/27/571088527.db2.gz DMQDLMRABMHPDH-CPNJWEJPSA-N 0 0 362.816 5.076 40 10 FKCBRN Fc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(OC3CSC3)c1)N2 ZINC000059267065 571088875 /nfs/dbraw/zinc/08/88/75/571088875.db2.gz SMAGKYPLDBEYHN-OPYAIIAOSA-N 0 0 353.462 5.146 40 10 FKCBRN Fc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(OC3CSC3)c1)N2 ZINC000059267066 571088944 /nfs/dbraw/zinc/08/89/44/571088944.db2.gz SMAGKYPLDBEYHN-LQWHRVPQSA-N 0 0 353.462 5.146 40 10 FKCBRN CCCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1=S ZINC000059417949 571090393 /nfs/dbraw/zinc/09/03/93/571090393.db2.gz YXDKLYWEKMLPEJ-XNTDXEJSSA-N 0 0 363.891 5.211 40 10 FKCBRN Cc1ccc(C2=C/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)O2)cc1 ZINC000059425877 571090410 /nfs/dbraw/zinc/09/04/10/571090410.db2.gz OMMGFXTYWQTBBL-VBKFSLOCSA-N 0 0 373.364 5.145 40 10 FKCBRN CC(C)c1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1 ZINC000059457427 571089331 /nfs/dbraw/zinc/08/93/31/571089331.db2.gz XWWAIVARUXBYLJ-YVLHZVERSA-N 0 0 357.475 5.355 40 10 FKCBRN Cc1ccc(N2C(=O)/C(=C/c3cccc(Cl)c3)SC2=S)c(C)c1 ZINC000059459825 263419711 /nfs/dbraw/zinc/41/97/11/263419711.db2.gz TXMKNVAMIHHJDY-YBEGLDIGSA-N 0 0 359.903 5.363 40 10 FKCBRN Cc1ccc2cc(C3=C/C(=C\c4cccc5ccccc45)C(=O)O3)ccc2c1 ZINC000059472390 263420265 /nfs/dbraw/zinc/42/02/65/263420265.db2.gz VITSBUNFXMTHRA-HZHRSRAPSA-N 0 0 362.428 6.283 40 10 FKCBRN O=C1/C(=C/C=C/c2ccccc2)C(c2ccccc2)=NN1c1ccccc1 ZINC000059474878 571090630 /nfs/dbraw/zinc/09/06/30/571090630.db2.gz QSGPUHKTFXXSIA-DZFITWGMSA-N 0 0 350.421 5.077 40 10 FKCBRN CC1(C)Nc2ccccc2-c2c1ss/c2=N\c1cc(Cl)ccc1O ZINC000059501092 263421065 /nfs/dbraw/zinc/42/10/65/263421065.db2.gz QVQIZKNAOCEUML-JZJYNLBNSA-N 0 0 374.918 5.729 40 10 FKCBRN O=C1/C(=C\c2cccc(Cl)c2)SC(=S)N1c1cccc(Cl)c1 ZINC000059502981 571091591 /nfs/dbraw/zinc/09/15/91/571091591.db2.gz IJXOXXFDBCWGRQ-RIYZIHGNSA-N 0 0 366.294 5.399 40 10 FKCBRN O=C1/C(=C\c2ccccc2Cl)SC(=S)N1c1cccc(Cl)c1 ZINC000059502982 571091514 /nfs/dbraw/zinc/09/15/14/571091514.db2.gz OJXJWGRRWKBQPW-RIYZIHGNSA-N 0 0 366.294 5.399 40 10 FKCBRN Cc1cc(C)c(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c(C)c1 ZINC000059514436 571091764 /nfs/dbraw/zinc/09/17/64/571091764.db2.gz QSBJNYUBTMASNS-YVLHZVERSA-N 0 0 373.930 5.671 40 10 FKCBRN COc1ccc(N2C(=O)/C(=C/c3c(C)cc(C)cc3C)SC2=S)cc1 ZINC000059514437 263421557 /nfs/dbraw/zinc/42/15/57/263421557.db2.gz CBAMWIKCILXCPT-WQRHYEAKSA-N 0 0 369.511 5.026 40 10 FKCBRN Cc1ccc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)o1 ZINC000060512482 571306503 /nfs/dbraw/zinc/30/65/03/571306503.db2.gz JJDYYJYQWJNPKV-BOPFTXTBSA-N 0 0 351.452 5.147 40 10 FKCBRN O=C1c2ccccc2C(=O)c2c3nc(/C=C/c4ccccc4)sc3ccc21 ZINC000066091780 571076075 /nfs/dbraw/zinc/07/60/75/571076075.db2.gz BSEHTAFLQXRKPY-JLHYYAGUSA-N 0 0 367.429 5.242 40 10 FKCBRN Cc1ccc(COc2ccc(C3Nc4cccc5cccc(c54)N3)cc2)cc1 ZINC000070453905 570626397 /nfs/dbraw/zinc/62/63/97/570626397.db2.gz CLFSGCXHZHMMLN-UHFFFAOYSA-N 0 0 366.464 6.263 40 10 FKCBRN Cc1noc(C)c1COc1ccc(C2Nc3cccc4cccc(c43)N2)cc1 ZINC000070453906 570626344 /nfs/dbraw/zinc/62/63/44/570626344.db2.gz JWFZMKZHUTWQRF-UHFFFAOYSA-N 0 0 371.440 5.560 40 10 FKCBRN c1ccc(COc2ccccc2C2Nc3cccc4cccc(c43)N2)cc1 ZINC000070453908 570626644 /nfs/dbraw/zinc/62/66/44/570626644.db2.gz JZCSZZNHMGWUAE-UHFFFAOYSA-N 0 0 352.437 5.955 40 10 FKCBRN Fc1ccccc1COc1cccc(C2Nc3cccc4cccc(c43)N2)c1 ZINC000070453920 570626499 /nfs/dbraw/zinc/62/64/99/570626499.db2.gz LYLWVNSTZNGBTA-UHFFFAOYSA-N 0 0 370.427 6.094 40 10 FKCBRN CCOc1cc(C2Nc3cccc4cccc(c43)N2)ccc1OCC(C)C ZINC000070453939 571323213 /nfs/dbraw/zinc/32/32/13/571323213.db2.gz SBTSBSMPWDMSQG-UHFFFAOYSA-N 0 0 362.473 5.810 40 10 FKCBRN CCOc1cc(C2Nc3cccc4cccc(c43)N2)ccc1OC(F)F ZINC000070453956 571323189 /nfs/dbraw/zinc/32/31/89/571323189.db2.gz RHULGRQWUOZITO-UHFFFAOYSA-N 0 0 356.372 5.376 40 10 FKCBRN CCOc1c(Cl)cc(C2Nc3cccc4cccc(c43)N2)cc1OC ZINC000070453962 571323162 /nfs/dbraw/zinc/32/31/62/571323162.db2.gz JRQHGBXNNFVOKE-UHFFFAOYSA-N 0 0 354.837 5.437 40 10 FKCBRN O=[N+]([O-])c1ccc(-n2cccc2C2Nc3cccc4cccc(c43)N2)cc1 ZINC000070453972 571323175 /nfs/dbraw/zinc/32/31/75/571323175.db2.gz WGVWESMUTIWAKI-UHFFFAOYSA-N 0 0 356.385 5.075 40 10 FKCBRN O=[N+]([O-])c1ccc(-c2ccc(C3Nc4cccc5cccc(c54)N3)o2)cc1 ZINC000070453975 571323203 /nfs/dbraw/zinc/32/32/03/571323203.db2.gz KEWXBJAZBYTYBB-UHFFFAOYSA-N 0 0 357.369 5.544 40 10 FKCBRN Cc1nn(-c2ccccc2)c(Cl)c1C1Nc2cccc3cccc(c32)N1 ZINC000070453980 571323192 /nfs/dbraw/zinc/32/31/92/571323192.db2.gz VWHDHAVLZLTLHK-UHFFFAOYSA-N 0 0 360.848 5.524 40 10 FKCBRN Oc1cc(OCc2ccccc2)ccc1C1Nc2cccc3cccc(c32)N1 ZINC000070453990 571323169 /nfs/dbraw/zinc/32/31/69/571323169.db2.gz XYUWTKJWAQLJIS-UHFFFAOYSA-N 0 0 368.436 5.661 40 10 FKCBRN CCOc1ccc2c(c1)oc(=O)c(C1=CC=CCC1=S)c2-c1ccccc1 ZINC000071404995 221346778 /nfs/dbraw/zinc/34/67/78/221346778.db2.gz QNKRSTYZEJNHFD-UHFFFAOYSA-N 0 0 374.461 5.572 40 10 FKCBRN COc1ccc2c(c1)oc(=O)c(C1=CC=CCC1=S)c2-c1ccccc1 ZINC000071405006 571117749 /nfs/dbraw/zinc/11/77/49/571117749.db2.gz DVPOLRVADSVKRL-UHFFFAOYSA-N 0 0 360.434 5.182 40 10 FKCBRN Brc1cccc2nc3c4ccccc4c4ccccc4c3nc12 ZINC000072220769 570533954 /nfs/dbraw/zinc/53/39/54/570533954.db2.gz WQNXRBNTUDFJIX-UHFFFAOYSA-N 0 0 359.226 5.852 40 10 FKCBRN Cc1ccc(C2=C/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)O2)cc1 ZINC000083317656 571100833 /nfs/dbraw/zinc/10/08/33/571100833.db2.gz TUOJUHDXXMSCGA-SFQUDFHCSA-N 0 0 373.364 5.145 40 10 FKCBRN Cc1ccc(C2=C/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C(=O)O2)cc1 ZINC000083317661 571100867 /nfs/dbraw/zinc/10/08/67/571100867.db2.gz SSCHPLZUHWAVOS-SFQUDFHCSA-N 0 0 362.812 5.890 40 10 FKCBRN Cc1ccc(C2=C/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C(=O)O2)cc1 ZINC000083317665 571100930 /nfs/dbraw/zinc/10/09/30/571100930.db2.gz JVFMKVVSQBZKCA-SFQUDFHCSA-N 0 0 362.812 5.890 40 10 FKCBRN CCc1ccccc1N[C@@H](c1ccncc1)c1ccc2cccnc2c1O ZINC000095912893 571071250 /nfs/dbraw/zinc/07/12/50/571071250.db2.gz KMRQHRIRNNQBCD-NRFANRHFSA-N 0 0 355.441 5.099 40 10 FKCBRN CCc1ccccc1N[C@H](c1ccncc1)c1ccc2cccnc2c1O ZINC000095912894 571071217 /nfs/dbraw/zinc/07/12/17/571071217.db2.gz KMRQHRIRNNQBCD-OAQYLSRUSA-N 0 0 355.441 5.099 40 10 FKCBRN Ic1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 ZINC000096006163 570472297 /nfs/dbraw/zinc/47/22/97/570472297.db2.gz VTPXMFVJWLLENT-RKVPGOIHSA-N 0 0 373.237 5.118 40 10 FKCBRN COc1cc([N+](=O)[O-])cc2c1N[C@@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@@H]21 ZINC000096006221 221988539 /nfs/dbraw/zinc/98/85/39/221988539.db2.gz BMOAONFOCCZGGT-RKVPGOIHSA-N 0 0 356.809 5.083 40 10 FKCBRN CCOc1ccc2ccccc2c1/C=C1/C(=O)N(c2ccccc2)N=C1C ZINC000096193364 222070896 /nfs/dbraw/zinc/07/08/96/222070896.db2.gz NPXRMWQOJJPIJI-HMMYKYKNSA-N 0 0 356.425 5.045 40 10 FKCBRN Cc1ccc(N[C@@H](c2ccncc2)c2ccc3cccnc3c2O)cc1C ZINC000096298887 210096540 /nfs/dbraw/zinc/09/65/40/210096540.db2.gz RLMJRHFGERESNO-NRFANRHFSA-N 0 0 355.441 5.154 40 10 FKCBRN Cc1ccc(N[C@H](c2ccncc2)c2ccc3cccnc3c2O)cc1C ZINC000096298888 203820598 /nfs/dbraw/zinc/82/05/98/203820598.db2.gz RLMJRHFGERESNO-OAQYLSRUSA-N 0 0 355.441 5.154 40 10 FKCBRN O=C1/C(=C\c2ccc(-c3ccccc3)cc2)SC(=S)N1c1ccccc1 ZINC000096505039 571098839 /nfs/dbraw/zinc/09/88/39/571098839.db2.gz RGRQWUAJPKTUNC-HMMYKYKNSA-N 0 0 373.502 5.759 40 10 FKCBRN CC1=NN(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccccc1Cl ZINC000100023912 222233024 /nfs/dbraw/zinc/23/30/24/222233024.db2.gz ZJZCYRAYVISRHF-MDWZMJQESA-N 0 0 365.647 5.453 40 10 FKCBRN Cc1ccc(NN=c2ccc(=O)c(=NNc3ccc(C)cc3C)c2=O)c(C)c1 ZINC000100127201 205939625 /nfs/dbraw/zinc/93/96/25/205939625.db2.gz WMIICSQDNIXFKP-OGGGYYITSA-N 0 0 374.444 7.162 40 10 FKCBRN Cc1cc(Nc2ccc(NN=C3C=CC(=O)c4ncccc43)cc2)nc(C)n1 ZINC000100136859 209209397 /nfs/dbraw/zinc/20/93/97/209209397.db2.gz UUNGCXMWHCKSED-RQZHXJHFSA-N 0 0 370.416 5.506 40 10 in-vitro FKCBRN Cc1ccc(/N=N\c2ccc(C)cc2NC(=O)Nc2ccccc2F)cc1 ZINC000100138625 222236857 /nfs/dbraw/zinc/23/68/57/222236857.db2.gz NHKDQFMLMCPBLJ-QPLCGJKRSA-N 0 0 362.408 6.502 40 10 FKCBRN Cc1ccc(/N=N\c2ccc(C)cc2NC(=O)c2ccc(Cl)cc2)cc1 ZINC000100138642 205939681 /nfs/dbraw/zinc/93/96/81/205939681.db2.gz SFMVISWGQXKYHZ-IZHYLOQSSA-N 0 0 363.848 6.625 40 10 FKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1 ZINC000100147803 570759575 /nfs/dbraw/zinc/75/95/75/570759575.db2.gz BUOAOYWWVHGGMU-CJLVFECKSA-N 0 0 368.436 5.072 40 10 FKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2ccccc2)c1 ZINC000100147914 222236993 /nfs/dbraw/zinc/23/69/93/222236993.db2.gz HTJWZJFVYZLUKX-XQNSMLJCSA-N 0 0 368.436 5.072 40 10 FKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2)o1 ZINC000100148108 206222946 /nfs/dbraw/zinc/22/29/46/206222946.db2.gz HDZJNJLAMGMCGK-UYRXBGFRSA-N 0 0 362.816 5.406 40 10 FKCBRN Fc1cccc2c1N[C@H](c1c3ccccc3cc3ccccc31)[C@@H]1CC=C[C@H]21 ZINC000100190941 209210581 /nfs/dbraw/zinc/21/05/81/209210581.db2.gz RZZLOXBVQCEDIM-MZEQIWSPSA-N 0 0 365.451 6.959 40 10 FKCBRN c1ccc(C(/N=N/C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 ZINC000100212224 222239169 /nfs/dbraw/zinc/23/91/69/222239169.db2.gz QYINCWYHJCTGRW-BYYHNAKLSA-N 0 0 362.476 7.018 40 10 FKCBRN CCN(CC)c1ccc(/N=N\c2c(C)nc(N)nc2-c2ccccc2)cc1 ZINC000100323095 570503042 /nfs/dbraw/zinc/50/30/42/570503042.db2.gz OPQXHLRKXHBWAW-QPLCGJKRSA-N 0 0 360.465 5.296 40 10 FKCBRN Cc1cc(/N=N\c2ccc(N)cc2)c(C(C)C)cc1/N=N/c1ccc(N)cc1 ZINC000100369044 570503260 /nfs/dbraw/zinc/50/32/60/570503260.db2.gz QIZVKKRGMMKHAB-MPCWFZQZSA-N 0 0 372.476 7.114 40 10 FKCBRN Cc1cc(/N=N/c2ccc(N)cc2)c(C(C)C)cc1/N=N\c1ccc(N)cc1 ZINC000100369047 222243218 /nfs/dbraw/zinc/24/32/18/222243218.db2.gz QIZVKKRGMMKHAB-ZQZMJUSDSA-N 0 0 372.476 7.114 40 10 FKCBRN Cc1ccc(/N=N/c2cc(C(C)C)c(/N=N\c3ccc(C)cc3)cc2C)cc1 ZINC000100369119 209213721 /nfs/dbraw/zinc/21/37/21/209213721.db2.gz QTASQWUWTPABTK-MPCWFZQZSA-N 0 0 370.500 8.566 40 10 FKCBRN Cc1cc([N+](=O)[N-]c2ccccc2)c(C(C)C)cc1[N+](=O)[N-]c1ccccc1 ZINC000100369124 222242792 /nfs/dbraw/zinc/24/27/92/222242792.db2.gz ZMGLKCAKYHDSCY-MRAZZECGSA-N 0 0 374.444 6.970 40 10 FKCBRN Cc1cc(N=Nc2ccccc2)c(C(C)C)cc1[N+](=O)[N-]c1ccccc1 ZINC000100369140 570503267 /nfs/dbraw/zinc/50/32/67/570503267.db2.gz QGENZOJHAFTIOO-HXEHWPEMSA-N 0 0 358.445 7.460 40 10 FKCBRN Cc1cc(N=Nc2ccccc2)c(C(C)C)cc1[N+](=O)[N-]c1ccccc1 ZINC000100369142 222243067 /nfs/dbraw/zinc/24/30/67/222243067.db2.gz QGENZOJHAFTIOO-RUFRKCMOSA-N 0 0 358.445 7.460 40 10 FKCBRN Cc1cc(N=Nc2ccccc2)c(C(C)C)cc1[N+](=O)[N-]c1ccccc1 ZINC000100369145 209214037 /nfs/dbraw/zinc/21/40/37/209214037.db2.gz QGENZOJHAFTIOO-QSZPNPOGSA-N 0 0 358.445 7.460 40 10 FKCBRN COc1ccc(/N=N\c2cc(OC)c(OC)c(OC)c2)c2ccccc12 ZINC000100398893 222243105 /nfs/dbraw/zinc/24/31/05/222243105.db2.gz HALGTPJVECYKNB-DQRAZIAOSA-N 0 0 352.390 5.290 40 10 FKCBRN Cc1nc(N)nc(-c2ccccc2)c1/N=N\c1cc(Cl)cc(Cl)c1 ZINC000100458970 209213617 /nfs/dbraw/zinc/21/36/17/209213617.db2.gz DYJGGDHLSZJBRN-VHXPQNKSSA-N 0 0 358.232 5.756 40 10 FKCBRN Cc1nc(N)nc(-c2ccccc2)c1/N=N/c1ccc(Cl)cc1Cl ZINC000100458987 222243952 /nfs/dbraw/zinc/24/39/52/222243952.db2.gz WKZFJPJBBZUVOV-WCWDXBQESA-N 0 0 358.232 5.756 40 10 FKCBRN Cc1nc(N)nc(-c2ccccc2)c1/N=N/c1cccc(Cl)c1Cl ZINC000100458994 570504289 /nfs/dbraw/zinc/50/42/89/570504289.db2.gz FGBYWGMFUZPFGN-WCWDXBQESA-N 0 0 358.232 5.756 40 10 FKCBRN Cc1nc(N)nc(-c2ccccc2)c1/N=N/c1ccccc1Br ZINC000100458999 209214053 /nfs/dbraw/zinc/21/40/53/209214053.db2.gz VMUACNYUQOJQIO-GHVJWSGMSA-N 0 0 368.238 5.212 40 10 FKCBRN Cc1ccccc1/N=N\c1ccc(NC(=O)COc2ccccc2)cc1C ZINC000100530000 209482778 /nfs/dbraw/zinc/48/27/78/209482778.db2.gz JMNRJPJKZBOZCQ-IZHYLOQSSA-N 0 0 359.429 5.736 40 10 FKCBRN CC1=NC(=O)[C@H](N=Nc2cccc3oc4ccccc4c32)N1c1ccccc1 ZINC000100554954 206223557 /nfs/dbraw/zinc/22/35/57/206223557.db2.gz PIKPZUWJRJHHMF-JOWZZTKRSA-N 0 0 368.396 5.461 40 10 FKCBRN CC1=NC(=O)[C@@H](N=Nc2cccc3oc4ccccc4c32)N1c1ccccc1 ZINC000100554957 209481680 /nfs/dbraw/zinc/48/16/80/209481680.db2.gz PIKPZUWJRJHHMF-PWKIUMOWSA-N 0 0 368.396 5.461 40 10 FKCBRN CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccccc1Cl ZINC000100598513 222248313 /nfs/dbraw/zinc/24/83/13/222248313.db2.gz RDMRYBAZPQKIRQ-DHDCSXOGSA-N 0 0 364.754 5.165 40 10 FKCBRN CCOc1cc2c(c([N+](=O)[O-])c1)N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 ZINC000101151578 570510655 /nfs/dbraw/zinc/51/06/55/570510655.db2.gz QYAKBOFMEYSGMR-GJYPPUQNSA-N 0 0 370.836 5.473 40 10 FKCBRN CCOc1cc2c(c([N+](=O)[O-])c1)N[C@@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21 ZINC000101151580 205953256 /nfs/dbraw/zinc/95/32/56/205953256.db2.gz QYAKBOFMEYSGMR-MDZRGWNJSA-N 0 0 370.836 5.473 40 10 FKCBRN Clc1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 ZINC000101151621 222263148 /nfs/dbraw/zinc/26/31/48/222263148.db2.gz BYQSQIUDLRGZCQ-KEYYUXOJSA-N 0 0 360.682 5.929 40 10 FKCBRN Cc1noc(C)c1CC(=O)Nc1ccc(C)cc1/N=N/c1ccc(C)cc1 ZINC000102911313 222313833 /nfs/dbraw/zinc/31/38/33/222313833.db2.gz QDYPZLUXHWCPMY-WCWDXBQESA-N 0 0 362.433 5.505 40 10 FKCBRN O=C1C=Cc2ccccc2C1=NNc1ccccc1-c1nc2ccccc2[nH]1 ZINC000102939146 206231533 /nfs/dbraw/zinc/23/15/33/206231533.db2.gz BACJMIIFBWVWHY-CYYJNZCTSA-N 0 0 364.408 6.504 40 10 FKCBRN CCn1c2ccccc2nc1/N=N/c1c(C)nn2c3ccccc3n(CC)c12 ZINC000102943746 222314961 /nfs/dbraw/zinc/31/49/61/222314961.db2.gz LJTCZKHUVHOZJS-WCWDXBQESA-N 0 0 371.448 5.402 40 10 FKCBRN Nc1nc(-c2ccccc2)c(/N=N/c2cccc(Br)c2)s1 ZINC000102949698 222315701 /nfs/dbraw/zinc/31/57/01/222315701.db2.gz CANWMVDFBCZWHY-FMQUCBEESA-N 0 0 359.252 5.570 40 10 FKCBRN Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)c2cccnc2Cl)cc1 ZINC000102957469 222315327 /nfs/dbraw/zinc/31/53/27/222315327.db2.gz AVCLATRUVAHXDQ-OCOZRVBESA-N 0 0 364.836 6.020 40 10 FKCBRN Cc1ccc(/N=N/c2cc(C)ccc2NC(=S)NC2CCCCC2)cc1 ZINC000102971884 209494160 /nfs/dbraw/zinc/49/41/60/209494160.db2.gz VTXMKXTUTVNWHP-OCOZRVBESA-N 0 0 366.534 6.338 40 10 FKCBRN Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)[C@@H]2CC2(Cl)Cl)cc1 ZINC000103014799 222318458 /nfs/dbraw/zinc/31/84/58/222318458.db2.gz FRXJPBMWOBCCJD-FAFWDCIRSA-N 0 0 362.260 5.851 40 10 FKCBRN Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)[C@H]2CC2(Cl)Cl)cc1 ZINC000103014802 222318268 /nfs/dbraw/zinc/31/82/68/222318268.db2.gz FRXJPBMWOBCCJD-DGIAWOHRSA-N 0 0 362.260 5.851 40 10 FKCBRN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1cc(C)cc(C)c1 ZINC000103918727 263445194 /nfs/dbraw/zinc/44/51/94/263445194.db2.gz UJZYEOSABHLTPQ-PGMHBOJBSA-N 0 0 365.452 5.331 40 10 FKCBRN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccc(CC)cc1 ZINC000103918832 570772290 /nfs/dbraw/zinc/77/22/90/570772290.db2.gz QQOCFRJRKUMIFH-QNGOZBTKSA-N 0 0 365.452 5.277 40 10 FKCBRN CCCC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1cccc(Cl)c1C ZINC000103919027 570772342 /nfs/dbraw/zinc/77/23/42/570772342.db2.gz LXWXNLGWEDKORY-HKWRFOASSA-N 0 0 367.880 5.537 40 10 FKCBRN CCCC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1cccc2ccccc21 ZINC000103919061 570772307 /nfs/dbraw/zinc/77/23/07/570772307.db2.gz FAWDCJKGPYDTMA-QJOMJCCJSA-N 0 0 369.468 5.729 40 10 FKCBRN Nc1nc(-c2ccccc2)c(N=Nc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000104108856 570520356 /nfs/dbraw/zinc/52/03/56/570520356.db2.gz JZDBQJPUZNIJAL-VXPUYCOJSA-N 0 0 359.798 5.200 40 10 FKCBRN CCCN(CCC)c1ccc(/N=N\c2cc(Cl)ccc2Cl)cc1 ZINC000104140566 209257516 /nfs/dbraw/zinc/25/75/16/209257516.db2.gz NKPKSEWDSKXYNC-DQRAZIAOSA-N 0 0 350.293 7.035 40 10 FKCBRN O=C1c2ccccc2C(=O)[C@@H]2CC(c3ccccc3)=C(c3ccccc3)C[C@@H]12 ZINC000104155248 222351693 /nfs/dbraw/zinc/35/16/93/222351693.db2.gz TVNGPPZDLQYPRQ-DNQXCXABSA-N 0 0 364.444 5.703 40 10 FKCBRN O=C1c2ccccc2C(=O)[C@H]2CC(c3ccccc3)=C(c3ccccc3)C[C@H]12 ZINC000104155254 570520622 /nfs/dbraw/zinc/52/06/22/570520622.db2.gz TVNGPPZDLQYPRQ-ZEQRLZLVSA-N 0 0 364.444 5.703 40 10 FKCBRN O=[N+]([N-]c1ccc2c(c1)Cc1ccccc1-2)c1ccc2c(c1)Cc1ccccc1-2 ZINC000104180935 570520816 /nfs/dbraw/zinc/52/08/16/570520816.db2.gz LTNRXVIMXYTPID-UHFFFAOYSA-N 0 0 374.443 6.755 40 10 FKCBRN O=C1c2ccccc2-c2ccc(NN=C3C(=O)C=Cc4ccccc43)cc21 ZINC000104180981 209260287 /nfs/dbraw/zinc/26/02/87/209260287.db2.gz MKQOYENIVZCGJP-IZHYLOQSSA-N 0 0 350.377 6.172 40 10 FKCBRN Cc1ccc(/N=N\c2ccc(C)cc2NC(=O)/C=C\c2ccccc2)cc1 ZINC000104185764 222352386 /nfs/dbraw/zinc/35/23/86/222352386.db2.gz OUJUYSLJMBCZDH-XFFDECBCSA-N 0 0 355.441 6.371 40 10 FKCBRN Cc1ccc(/N=N\c2ccc(C)cc2NC(=O)/C=C/c2ccccc2)cc1 ZINC000104185767 209259711 /nfs/dbraw/zinc/25/97/11/209259711.db2.gz OUJUYSLJMBCZDH-FAUFVFQKSA-N 0 0 355.441 6.371 40 10 FKCBRN COC(=O)C(Cl)(Cl)/N=N\c1c(Cl)cc(Cl)c(C)c1Cl ZINC000104186641 222352538 /nfs/dbraw/zinc/35/25/38/222352538.db2.gz PNUUGVNXZSVYME-MSUUIHNZSA-N 0 0 364.443 5.343 40 10 FKCBRN COC(=O)C(Cl)(Cl)/N=N/c1c(Cl)cc(Cl)c(C)c1Cl ZINC000104186645 222353197 /nfs/dbraw/zinc/35/31/97/222353197.db2.gz PNUUGVNXZSVYME-WUKNDPDISA-N 0 0 364.443 5.343 40 10 FKCBRN Cc1nn(C(=O)c2ccncc2)c(C)c1/N=N\c1cccc2ccccc21 ZINC000104201102 222352380 /nfs/dbraw/zinc/35/23/80/222352380.db2.gz HEPXLIKYCWRDBQ-VHXPQNKSSA-N 0 0 355.401 5.152 40 10 FKCBRN CCn1c2ccccc2c2cc(NN=C3C=C(C(C)C)C(=O)C=C3C)ccc21 ZINC000104202379 222352752 /nfs/dbraw/zinc/35/27/52/222352752.db2.gz HINJRPQKOZEQFF-QPLCGJKRSA-N 0 0 371.484 7.367 40 10 FKCBRN CCn1c2ccccc2c2cc(NN=C3C=CC(=O)c4ccccc43)ccc21 ZINC000104202897 209259315 /nfs/dbraw/zinc/25/93/15/209259315.db2.gz BSKJSSULDLPZDF-QPLCGJKRSA-N 0 0 365.436 7.089 40 10 FKCBRN CCn1c2ccccc2c2cc(NN=C3C=c4ccccc4=CC3=O)ccc21 ZINC000104202903 209259131 /nfs/dbraw/zinc/25/91/31/209259131.db2.gz HLOKNIJURGUYBH-QPLCGJKRSA-N 0 0 365.436 7.089 40 10 FKCBRN CCn1c2ccccc2c2cc(N)c(/N=N\c3ccc([N+](=O)[O-])cc3)cc21 ZINC000104202918 222352042 /nfs/dbraw/zinc/35/20/42/222352042.db2.gz WTQFEDKUNFYXPZ-FCQUAONHSA-N 0 0 359.389 5.720 40 10 FKCBRN CCn1c2ccccc2c2cc(N)c(/N=N\c3cccc4ccccc43)cc21 ZINC000104202931 222353202 /nfs/dbraw/zinc/35/32/02/222353202.db2.gz MYQHVKFAALWHCB-RQZHXJHFSA-N 0 0 364.452 6.965 40 10 FKCBRN O=C1C=CC(=NNc2ccc3ccc4cccc5ccc2c3c45)c2cccnc21 ZINC000104208220 209259198 /nfs/dbraw/zinc/25/91/98/209259198.db2.gz GRRCAVFHDNSXCI-DQSJHHFOSA-N 0 0 373.415 7.253 40 10 FKCBRN O=C1C=CC(=NNc2ccc3c4c(cccc42)-c2ccccc2-3)c2cccnc21 ZINC000104208226 222352994 /nfs/dbraw/zinc/35/29/94/222352994.db2.gz DMHJOYKBLIGJOS-DQSJHHFOSA-N 0 0 373.415 7.156 40 10 FKCBRN Cc1ccc(NN=c2ccc(=O)c(=NNc3ccc(C)cc3C)c2=O)c(C)c1 ZINC000104221624 209258943 /nfs/dbraw/zinc/25/89/43/209258943.db2.gz WMIICSQDNIXFKP-YPAXQUSRSA-N 0 0 374.444 7.162 40 10 FKCBRN Cc1ccc(NN=c2ccc(=O)c(=NNc3ccc(C)cc3C)c2=O)c(C)c1 ZINC000104221630 209260062 /nfs/dbraw/zinc/26/00/62/209260062.db2.gz WMIICSQDNIXFKP-MJPLYFDISA-N 0 0 374.444 7.162 40 10 FKCBRN Cc1c(/N=N\c2cccc(F)c2)c(-c2ccccc2)nn1C(=S)S ZINC000104222687 209259076 /nfs/dbraw/zinc/25/90/76/209259076.db2.gz HNXUYAIBHDACRK-VXPUYCOJSA-N 0 0 356.451 5.476 40 10 FKCBRN Cc1c(/N=N\c2ccccc2Cl)c(-c2ccccc2)nn1C(=S)S ZINC000104222694 222352674 /nfs/dbraw/zinc/35/26/74/222352674.db2.gz YCUWQCWGMBESNB-VXPUYCOJSA-N 0 0 372.906 5.990 40 10 FKCBRN Cc1c(/N=N\c2ccc(C)cc2)c(-c2ccccc2)nn1C(=S)S ZINC000104223377 570521041 /nfs/dbraw/zinc/52/10/41/570521041.db2.gz CCIOEHYVRPRYHP-VXPUYCOJSA-N 0 0 352.488 5.645 40 10 FKCBRN O=C(Oc1ccccc1)C1=CC(=NNc2ccccc2)c2ccccc2C1=O ZINC000104224604 209259592 /nfs/dbraw/zinc/25/95/92/209259592.db2.gz FKGNONHHAHPBEX-IZHYLOQSSA-N 0 0 368.392 6.180 40 10 FKCBRN Cc1c(/N=N\c2cccc(Cl)c2)c(-c2ccccc2)nn1C(N)=S ZINC000104225341 222352816 /nfs/dbraw/zinc/35/28/16/222352816.db2.gz OOUDUHHFMZAHOM-MRCUWXFGSA-N 0 0 355.854 5.019 40 10 FKCBRN Cc1c(/N=N\c2cccc(C)c2C)c(-c2ccccc2)nn1C(=S)S ZINC000104225359 222352977 /nfs/dbraw/zinc/35/29/77/222352977.db2.gz OEKOZUBVFVQVLA-MRCUWXFGSA-N 0 0 366.515 5.954 40 10 FKCBRN COc1cccc(/N=N\c2c(C)n(C(=S)S)nc2-c2ccccc2)c1 ZINC000104225388 209259452 /nfs/dbraw/zinc/25/94/52/209259452.db2.gz UQQRGRIOYPYATH-VXPUYCOJSA-N 0 0 368.487 5.345 40 10 FKCBRN O=[N+]([N-]c1ccccc1-c1ccccc1)c1ccccc1-c1ccccc1 ZINC000104227089 209259485 /nfs/dbraw/zinc/25/94/85/209259485.db2.gz KKGQULROQZYLGU-QPLCGJKRSA-N 0 0 350.421 6.946 40 10 FKCBRN CCn1c2ccccc2c2cc(/N=N\c3cc(N)ccc3N(C)C)ccc21 ZINC000104230298 222352451 /nfs/dbraw/zinc/35/24/51/222352451.db2.gz PGBHOWADRUJZNY-IZHYLOQSSA-N 0 0 357.461 5.878 40 10 FKCBRN CCOc1c(/N=N\c2cccc(Cl)c2)c(C)nn1C(=S)SC ZINC000104241076 222354347 /nfs/dbraw/zinc/35/43/47/222354347.db2.gz GGHYBFSGHOLAKC-MSUUIHNZSA-N 0 0 354.888 5.155 40 10 FKCBRN Cc1cc(N2Cc3ccccc3C2)cc(C)c1/N=N\c1ccc([N+](=O)[O-])cc1 ZINC000104260818 222354154 /nfs/dbraw/zinc/35/41/54/222354154.db2.gz OUJVRKAJCQRZFG-VHXPQNKSSA-N 0 0 372.428 6.147 40 10 FKCBRN CC(=O)c1ccc(N=Nc2ccc(N3Cc4ccccc4C3)cc2C)cc1 ZINC000104260826 209260002 /nfs/dbraw/zinc/26/00/02/209260002.db2.gz HBGHJXFAEIIXHT-IZHYLOQSSA-N 0 0 355.441 6.133 40 10 FKCBRN CN(C)/N=N\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000104262730 209260316 /nfs/dbraw/zinc/26/03/16/209260316.db2.gz ORXZFHPKBIXCPV-VHXPQNKSSA-N 0 0 361.445 5.405 40 10 FKCBRN Cc1nn(C(=O)c2ccccc2Cl)c(C)c1/N=N\c1cccc(C)c1 ZINC000104280375 222353753 /nfs/dbraw/zinc/35/37/53/222353753.db2.gz JXOBCRBBJRCGPW-DQRAZIAOSA-N 0 0 352.825 5.566 40 10 FKCBRN Cc1nn(-c2ccccc2)c(C)c1/N=N\c1ccc(C)cc1Br ZINC000104282009 222354407 /nfs/dbraw/zinc/35/44/07/222354407.db2.gz ZDMWRDQRZLBBSX-MRCUWXFGSA-N 0 0 369.266 5.975 40 10 FKCBRN COc1cc(/N=N\c2ccc(N)cc2)c(OC)cc1/N=N\c1ccccc1 ZINC000104323869 222356148 /nfs/dbraw/zinc/35/61/48/222356148.db2.gz WKFHKFUOLMKECO-HKOLQMFGSA-N 0 0 361.405 6.117 40 10 FKCBRN COc1cc(/N=N\c2ccc(N)cc2)c(OC)cc1/N=N/c1ccccc1 ZINC000104323875 222355056 /nfs/dbraw/zinc/35/50/56/222355056.db2.gz WKFHKFUOLMKECO-KUXGFVDGSA-N 0 0 361.405 6.117 40 10 FKCBRN O=[N+]([N-]c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000104351912 209261922 /nfs/dbraw/zinc/26/19/22/209261922.db2.gz IPXUSIUMPSGLFK-UHFFFAOYSA-N 0 0 356.017 5.137 40 10 FKCBRN O=C1C=CC(=NNc2ccc(N=Nc3ccccc3)cc2)c2ccccc21 ZINC000104366963 570521323 /nfs/dbraw/zinc/52/13/23/570521323.db2.gz MXPUJTRZCSNUQD-RUFRKCMOSA-N 0 0 352.397 7.376 40 10 FKCBRN O=C1C=CC(=NNc2ccc(N=Nc3ccccc3)cc2)c2ccccc21 ZINC000104366969 222355085 /nfs/dbraw/zinc/35/50/85/222355085.db2.gz MXPUJTRZCSNUQD-RIIXPHEHSA-N 0 0 352.397 7.376 40 10 FKCBRN O=C1C=CC(=NNc2ccc(N=Nc3ccccc3)cc2)c2ccccc21 ZINC000104366973 209261263 /nfs/dbraw/zinc/26/12/63/209261263.db2.gz MXPUJTRZCSNUQD-HXEHWPEMSA-N 0 0 352.397 7.376 40 10 FKCBRN S=C(/N=N\c1ccc2ccccc2c1)NNc1ccc2ccccc2c1 ZINC000104380889 222357196 /nfs/dbraw/zinc/35/71/96/222357196.db2.gz FLGUZMFZUIMISX-BZZOAKBMSA-N 0 0 356.454 5.978 40 10 FKCBRN S=C(/N=N\c1cccc2ccccc21)NNc1cccc2ccccc21 ZINC000104380895 222358605 /nfs/dbraw/zinc/35/86/05/222358605.db2.gz IDGHLUJOYVSROS-BZZOAKBMSA-N 0 0 356.454 5.978 40 10 FKCBRN COc1cc(-c2ccc(NN=C3C=CC(=O)C(C)=C3)c(OC)c2)ccc1N ZINC000104388948 222357166 /nfs/dbraw/zinc/35/71/66/222357166.db2.gz KFKBFYTZMRHTFU-VHXPQNKSSA-N 0 0 363.417 5.382 40 10 FKCBRN CCCOc1ccc(Cl)cc1C=C1SC(Nc2ccccc2)=NC1=O ZINC000107892657 571309970 /nfs/dbraw/zinc/30/99/70/571309970.db2.gz NVPRRVKDPZBGFN-ATVHPVEESA-N 0 0 372.877 5.211 40 10 FKCBRN CCN1C(=O)/C(=C/c2ccc(Sc3ccccc3)cc2)SC1=S ZINC000107976149 571309971 /nfs/dbraw/zinc/30/99/71/571309971.db2.gz OVKDLPVPYPLMQV-VBKFSLOCSA-N 0 0 357.525 5.059 40 10 FKCBRN Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000111440797 570805134 /nfs/dbraw/zinc/80/51/34/570805134.db2.gz JWMUUZAFHXDNAU-GPMSIDNRSA-N 0 0 354.837 5.692 40 10 FKCBRN Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc31)N2 ZINC000111440887 570805266 /nfs/dbraw/zinc/80/52/66/570805266.db2.gz ZAGGCRKXPXSKSK-KKLQWCBXSA-N 0 0 370.452 6.191 40 10 FKCBRN Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000111441171 570805137 /nfs/dbraw/zinc/80/51/37/570805137.db2.gz DWTFRFPHVHIYPA-GPMSIDNRSA-N 0 0 354.837 5.692 40 10 FKCBRN COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000111441738 206283136 /nfs/dbraw/zinc/28/31/36/206283136.db2.gz NELVLZMINGTTRF-JTDSTZFVSA-N 0 0 356.263 5.284 40 10 FKCBRN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 ZINC000111441929 206282447 /nfs/dbraw/zinc/28/24/47/206282447.db2.gz LKIGVZMKVYOSBM-SXGZJXTBSA-N 0 0 368.820 5.277 40 10 FKCBRN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000111441933 209555749 /nfs/dbraw/zinc/55/57/49/209555749.db2.gz LOCOSAFGDPHLIT-QEEYODRMSA-N 0 0 358.268 6.023 40 10 FKCBRN Fc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000111478925 570805114 /nfs/dbraw/zinc/80/51/14/570805114.db2.gz SMAGKYPLDBEYHN-DBXWQHBBSA-N 0 0 353.462 5.146 40 10 FKCBRN Fc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(OC3CSC3)c1)N2 ZINC000111478927 570805091 /nfs/dbraw/zinc/80/50/91/570805091.db2.gz SMAGKYPLDBEYHN-LVCYWYKZSA-N 0 0 353.462 5.146 40 10 FKCBRN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccc(C)cc1 ZINC000112114621 570810454 /nfs/dbraw/zinc/81/04/54/570810454.db2.gz VIWHPDAPMWMXCA-HKWRFOASSA-N 0 0 351.425 5.023 40 10 FKCBRN CCCC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ccc(Cl)cc1 ZINC000112115050 570810262 /nfs/dbraw/zinc/81/02/62/570810262.db2.gz YQJHOPAABYREQU-RGEXLXHISA-N 0 0 353.853 5.229 40 10 FKCBRN CC(Nc1cccc2ccccc21)=C1C(C)=NN(c2ccc(F)cc2)C1=O ZINC000112115910 570810306 /nfs/dbraw/zinc/81/03/06/570810306.db2.gz ARKHLUSPTFCTJW-STZFKDTASA-N 0 0 359.404 5.088 40 10 FKCBRN CC(Nc1ccc(Cl)c(Cl)c1)=C1C(C)=NN(c2ccccc2)C1=O ZINC000112116268 570810432 /nfs/dbraw/zinc/81/04/32/570810432.db2.gz IHGJXGAJPGKFHV-BOPFTXTBSA-N 0 0 360.244 5.102 40 10 FKCBRN CC(Nc1cc(Cl)cc(Cl)c1)=C1C(C)=NN(c2ccccc2)C1=O ZINC000112116276 570810290 /nfs/dbraw/zinc/81/02/90/570810290.db2.gz NUCSPDXCFMWLIR-BOPFTXTBSA-N 0 0 360.244 5.102 40 10 FKCBRN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccc(C)c(C)c1 ZINC000112117337 570810843 /nfs/dbraw/zinc/81/08/43/570810843.db2.gz GIXGHUYVVWVSRN-PGMHBOJBSA-N 0 0 365.452 5.331 40 10 FKCBRN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccccc1CC ZINC000112117370 570810896 /nfs/dbraw/zinc/81/08/96/570810896.db2.gz DAQUIIQCRAJKDM-QNGOZBTKSA-N 0 0 365.452 5.277 40 10 FKCBRN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccc(C)cc1C ZINC000112117383 570810759 /nfs/dbraw/zinc/81/07/59/570810759.db2.gz WQVBAWXLWUBPFQ-PGMHBOJBSA-N 0 0 365.452 5.331 40 10 FKCBRN CCCC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ccc(Cl)cc1C ZINC000112117636 570810964 /nfs/dbraw/zinc/81/09/64/570810964.db2.gz IYEZOYIKNSKBFH-HKWRFOASSA-N 0 0 367.880 5.537 40 10 FKCBRN CC(Nc1ccccc1-c1ccccc1)=C1C(C)=NN(c2ccccc2)C1=O ZINC000112117808 570810891 /nfs/dbraw/zinc/81/08/91/570810891.db2.gz VKYSABNAWHOBBB-QJOMJCCJSA-N 0 0 367.452 5.462 40 10 FKCBRN CCCC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ccc(Cl)c(F)c1 ZINC000112118764 570810801 /nfs/dbraw/zinc/81/08/01/570810801.db2.gz ACLXOSWFIOJTAZ-UYRXBGFRSA-N 0 0 371.843 5.368 40 10 FKCBRN CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccc(Cl)cc1 ZINC000112118773 570810991 /nfs/dbraw/zinc/81/09/91/570810991.db2.gz LTFHICUUEMIVFZ-UYRXBGFRSA-N 0 0 371.843 5.368 40 10 FKCBRN O=C1/C(=C\c2cccc(C(F)(F)F)c2)SC(=S)N1C1CCCCC1 ZINC000113830576 570825243 /nfs/dbraw/zinc/82/52/43/570825243.db2.gz LLXXIZPVQDAQFM-GXDHUFHOSA-N 0 0 371.449 5.239 40 10 FKCBRN O=C1/C(=C\c2ccc(C(F)(F)F)cc2)SC(=S)N1C1CCCCC1 ZINC000113834258 263452001 /nfs/dbraw/zinc/45/20/01/263452001.db2.gz FCTBNGZOZHIAJE-GXDHUFHOSA-N 0 0 371.449 5.239 40 10 FKCBRN O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1c1cccc2ccccc21 ZINC000113834851 263451956 /nfs/dbraw/zinc/45/19/56/263451956.db2.gz UTTSDQVAUGNUBF-LDADJPATSA-N 0 0 365.454 5.385 40 10 FKCBRN O=C1/C(=C\c2cccc(F)c2)SC(=S)N1c1cccc2ccccc21 ZINC000113834908 263452121 /nfs/dbraw/zinc/45/21/21/263452121.db2.gz ZRCNPNVPEVMNDY-LDADJPATSA-N 0 0 365.454 5.385 40 10 FKCBRN CSc1ccc(C=C2SC(Nc3ccc(Cl)cc3)=NC2=O)cc1 ZINC000139188200 571309976 /nfs/dbraw/zinc/30/99/76/571309976.db2.gz HXAFQGSMYBPZTO-XNTDXEJSSA-N 0 0 360.891 5.144 40 10 FKCBRN Cc1ccc(-c2ccc(Br)cc2)n1-c1cccc([N+](=O)[O-])c1 ZINC000141022676 570630508 /nfs/dbraw/zinc/63/05/08/570630508.db2.gz IDQUTYBEWHIKHK-UHFFFAOYSA-N 0 0 357.207 5.123 40 10 FKCBRN COc1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 ZINC000169682950 570801669 /nfs/dbraw/zinc/80/16/69/570801669.db2.gz KALBJMORMNIBFA-VKJFTORMSA-N 0 0 356.263 5.284 40 10 FKCBRN O=C(Nc1ccccc1)c1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3C[C@@H]1CC=C[C@@H]21 ZINC000169683773 132262118 /nfs/dbraw/zinc/26/21/18/132262118.db2.gz RSUVBUBFEISLKN-ZCLUNYJNSA-N 0 0 368.480 5.092 40 10 FKCBRN CC(=O)Nc1ccc(-n2c(C)ccc2-c2ccc(Br)cc2)cc1 ZINC000197489326 571309969 /nfs/dbraw/zinc/30/99/69/571309969.db2.gz QKBXWSOKZNAKNX-UHFFFAOYSA-N 0 0 369.262 5.174 40 10 FKCBRN Cc1ccc(-c2ccc(Br)cc2)n1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000197609001 571309988 /nfs/dbraw/zinc/30/99/88/571309988.db2.gz TUBZMPNGSLVYIY-UHFFFAOYSA-N 0 0 371.234 5.432 40 10 FKCBRN Cc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000198834616 571309965 /nfs/dbraw/zinc/30/99/65/571309965.db2.gz BDALTJUZTIGRCF-RCCKNPSSSA-N 0 0 372.855 5.483 40 10 FKCBRN Cc1ccc(-c2cccc(OC(F)(F)F)c2)n1-c1ccc(C(C)C)cc1 ZINC000199733729 571278160 /nfs/dbraw/zinc/27/81/60/571278160.db2.gz KPZHOYGUWSQXOJ-UHFFFAOYSA-N 0 0 359.391 6.475 40 10 FKCBRN Cc1ccc(-c2ccc(OC(F)(F)F)cc2)n1-c1ccc(C(C)C)cc1 ZINC000199733847 571278152 /nfs/dbraw/zinc/27/81/52/571278152.db2.gz WSGMVQATTYFQDA-UHFFFAOYSA-N 0 0 359.391 6.475 40 10 FKCBRN Cc1ccc(-c2ccc(Br)cc2)n1-c1ccc(C(C)C)cc1 ZINC000199744794 571278127 /nfs/dbraw/zinc/27/81/27/571278127.db2.gz FGTJVFKAHVXYEV-UHFFFAOYSA-N 0 0 354.291 6.339 40 10 FKCBRN Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)n1-c1ccc(C(C)C)cc1 ZINC000199744894 571278182 /nfs/dbraw/zinc/27/81/82/571278182.db2.gz LZLVDCPFZFEJAV-UHFFFAOYSA-N 0 0 354.837 6.138 40 10 FKCBRN COc1cccc(-n2c(C)ccc2-c2ccc(-c3cccc(Cl)c3)o2)c1 ZINC000199746369 571278170 /nfs/dbraw/zinc/27/81/70/571278170.db2.gz FRNAUVUTVRYKCN-UHFFFAOYSA-N 0 0 363.844 6.375 40 10 FKCBRN O=C1OC(c2ccc(Br)cc2)=C/C1=C/c1ccccc1Cl ZINC000205580787 209512716 /nfs/dbraw/zinc/51/27/16/209512716.db2.gz GYICGKUGAAEJQJ-LCYFTJDESA-N 0 0 361.622 5.084 40 10 FKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc2c(c1)[C@H](C)CC(C)(C)N2C ZINC000208193963 132268248 /nfs/dbraw/zinc/26/82/48/132268248.db2.gz OCPRNOKEFVYFMY-ZFMLPXDISA-N 0 0 373.500 5.215 40 10 FKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc2c(c1)[C@@H](C)CC(C)(C)N2C ZINC000208194006 132268260 /nfs/dbraw/zinc/26/82/60/132268260.db2.gz OCPRNOKEFVYFMY-YIRPMMGJSA-N 0 0 373.500 5.215 40 10 FKCBRN Cc1cc2c(cc1/C=C1\SC(=O)N(C(C)C)C1=O)[C@H](C)CC(C)(C)N2C ZINC000208228022 132268572 /nfs/dbraw/zinc/26/85/72/132268572.db2.gz YDJYRBAHJVHNBY-FNHQQPGVSA-N 0 0 372.534 5.162 40 10 FKCBRN Cc1cc2c(cc1/C=C1\SC(=O)N(C(C)C)C1=O)[C@@H](C)CC(C)(C)N2C ZINC000208228064 132268670 /nfs/dbraw/zinc/26/86/70/132268670.db2.gz YDJYRBAHJVHNBY-KPYNCUPYSA-N 0 0 372.534 5.162 40 10 FKCBRN CCCN1C(=O)S/C(=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)C1=O ZINC000208228930 535346877 /nfs/dbraw/zinc/34/68/77/535346877.db2.gz YIWODGGRIGDFSI-DZBQEORWSA-N 0 0 372.534 5.163 40 10 FKCBRN CCN1c2ccc(/C=C3\SC(=O)N(C(C)C)C3=O)cc2[C@H](C)CC1(C)C ZINC000208306898 571310083 /nfs/dbraw/zinc/31/00/83/571310083.db2.gz JNKURIYGPBZXFS-JVVDOCDTSA-N 0 0 372.534 5.243 40 10 FKCBRN CCCN1C(=O)S/C(=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3CC)C1=O ZINC000208307618 535346538 /nfs/dbraw/zinc/34/65/38/535346538.db2.gz GCBAUCZBSSTKLR-IIMQCXAKSA-N 0 0 372.534 5.245 40 10 FKCBRN CCCN1C(=O)S/C(=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3CC)C1=O ZINC000208307657 535346661 /nfs/dbraw/zinc/34/66/61/535346661.db2.gz GCBAUCZBSSTKLR-HIXWQLQUSA-N 0 0 372.534 5.245 40 10 FKCBRN CCN1C(=O)S/C(=C\c2cc3c(cc2C)N(CC)C(C)(C)C[C@H]3C)C1=O ZINC000208325872 571310121 /nfs/dbraw/zinc/31/01/21/571310121.db2.gz RVTIDWUCDANEJP-JVVDOCDTSA-N 0 0 372.534 5.163 40 10 FKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc2c(c1)C(C)=CC(C)(C)N2C ZINC000208449282 132268960 /nfs/dbraw/zinc/26/89/60/132268960.db2.gz XBJSOFWINYASOH-KGENOOAVSA-N 0 0 371.484 5.124 40 10 FKCBRN Cc1cc2c(cc1/C=C1\SC(=O)N(C(C)C)C1=O)C(C)=CC(C)(C)N2C ZINC000208461506 132269161 /nfs/dbraw/zinc/26/91/61/132269161.db2.gz OHEMHHKSBQARSK-ZDLGFXPLSA-N 0 0 370.518 5.071 40 10 FKCBRN CCCN1C(=O)S/C(=C\c2cc3c(cc2C)N(C)C(C)(C)C=C3C)C1=O ZINC000208462016 535346517 /nfs/dbraw/zinc/34/65/17/535346517.db2.gz OUOSOMJGYVBKMY-WQRHYEAKSA-N 0 0 370.518 5.073 40 10 FKCBRN CCN1c2ccc(/C=C3\SC(=O)N(C(C)C)C3=O)cc2C(C)=CC1(C)C ZINC000208511674 132269082 /nfs/dbraw/zinc/26/90/82/132269082.db2.gz PZMAQEIRLNDGDH-WQRHYEAKSA-N 0 0 370.518 5.153 40 10 FKCBRN CCCN1C(=O)S/C(=C\c2ccc3c(c2)C(C)=CC(C)(C)N3CC)C1=O ZINC000208512139 535347016 /nfs/dbraw/zinc/34/70/16/535347016.db2.gz OHBKJPGQBOWSMR-PDGQHHTCSA-N 0 0 370.518 5.155 40 10 FKCBRN CCN1C(=O)S/C(=C\c2cc3c(cc2C)N(CC)C(C)(C)C=C3C)C1=O ZINC000208518356 535435256 /nfs/dbraw/zinc/43/52/56/535435256.db2.gz FDLVZPDBDVTGLS-WQRHYEAKSA-N 0 0 370.518 5.073 40 10 FKCBRN CC(=O)Oc1ccc2ccccc2c1/C=C1/C=C(c2ccc(C)cc2)OC1=O ZINC000208530351 206313423 /nfs/dbraw/zinc/31/34/23/206313423.db2.gz VMEAZWOEPYQVDK-UYRXBGFRSA-N 0 0 370.404 5.055 40 10 FKCBRN Cc1ccc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc1 ZINC000208672700 571310142 /nfs/dbraw/zinc/31/01/42/571310142.db2.gz MPCDITQPWVFNNN-UYRXBGFRSA-N 0 0 361.491 5.554 40 10 FKCBRN Cc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)s1 ZINC000208714930 571310131 /nfs/dbraw/zinc/31/01/31/571310131.db2.gz XMALSLXWGCFGAZ-JYRVWZFOSA-N 0 0 351.905 5.116 40 10 FKCBRN Cc1ccsc1/C=C1\SC(=S)N(c2cccc3ccccc32)C1=O ZINC000208716728 571310120 /nfs/dbraw/zinc/31/01/20/571310120.db2.gz MROFUOXQRDKZOF-BOPFTXTBSA-N 0 0 367.520 5.616 40 10 FKCBRN Cc1ccc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)s1 ZINC000208723414 571310088 /nfs/dbraw/zinc/31/00/88/571310088.db2.gz CRLBLHLSONDCMD-BOPFTXTBSA-N 0 0 367.520 5.616 40 10 FKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1C(C)C ZINC000211707323 570645492 /nfs/dbraw/zinc/64/54/92/570645492.db2.gz ZADAEVPTQVHXOG-GZTJUZNOSA-N 0 0 356.516 5.092 40 10 FKCBRN O=C1N=C(Nc2ccc(F)cc2)SC1=Cc1ccc(-c2ccccc2)o1 ZINC000214590589 571310134 /nfs/dbraw/zinc/31/01/34/571310134.db2.gz NFKHKOPETHLSHR-LDADJPATSA-N 0 0 364.401 5.168 40 10 FKCBRN COc1ccc(/C=C2\C=C(c3ccc(Oc4ccccc4)cc3)OC2=O)cc1 ZINC000217053225 571276974 /nfs/dbraw/zinc/27/69/74/571276974.db2.gz GSWNHGXDFOLMNF-XDJHFCHBSA-N 0 0 370.404 5.469 40 10 FKCBRN C[C@@H](NC(=O)c1ccccc1Cl)c1ccc(N2CCC(C)CC2)cc1 ZINC000217846622 132272298 /nfs/dbraw/zinc/27/22/98/132272298.db2.gz OQACPXAYFSGNHO-MRXNPFEDSA-N 0 0 356.897 5.067 40 10 FKCBRN C[C@H](NC(=O)c1ccccc1Cl)c1ccc(N2CCC(C)CC2)cc1 ZINC000217846695 132272434 /nfs/dbraw/zinc/27/24/34/132272434.db2.gz OQACPXAYFSGNHO-INIZCTEOSA-N 0 0 356.897 5.067 40 10 FKCBRN C[C@@H](NC(=O)c1ccccc1Cl)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000217846814 132272423 /nfs/dbraw/zinc/27/24/23/132272423.db2.gz VHXGNUAXWNGBKR-HZPDHXFCSA-N 0 0 356.897 5.067 40 10 FKCBRN C[C@H](NC(=O)c1ccccc1Cl)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000217846893 132272371 /nfs/dbraw/zinc/27/23/71/132272371.db2.gz VHXGNUAXWNGBKR-CVEARBPZSA-N 0 0 356.897 5.067 40 10 FKCBRN C[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000217849677 132272403 /nfs/dbraw/zinc/27/24/03/132272403.db2.gz DRCVRAZCDMQHFL-MRXNPFEDSA-N 0 0 356.897 5.067 40 10 FKCBRN C[C@H](NC(=O)c1ccc(Cl)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000217849749 132272509 /nfs/dbraw/zinc/27/25/09/132272509.db2.gz DRCVRAZCDMQHFL-INIZCTEOSA-N 0 0 356.897 5.067 40 10 FKCBRN C[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000217849843 132272252 /nfs/dbraw/zinc/27/22/52/132272252.db2.gz KMZHIKPTTIVDRS-HZPDHXFCSA-N 0 0 356.897 5.067 40 10 FKCBRN C[C@H](NC(=O)c1ccc(Cl)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000217849936 132272402 /nfs/dbraw/zinc/27/24/02/132272402.db2.gz KMZHIKPTTIVDRS-CVEARBPZSA-N 0 0 356.897 5.067 40 10 FKCBRN C[C@@H](NC(=O)c1cccc(Cl)c1)c1ccc(N2CCC(C)CC2)cc1 ZINC000217852232 132272497 /nfs/dbraw/zinc/27/24/97/132272497.db2.gz DAJREAHIQRECBI-MRXNPFEDSA-N 0 0 356.897 5.067 40 10 FKCBRN C[C@H](NC(=O)c1cccc(Cl)c1)c1ccc(N2CCC(C)CC2)cc1 ZINC000217852298 132272460 /nfs/dbraw/zinc/27/24/60/132272460.db2.gz DAJREAHIQRECBI-INIZCTEOSA-N 0 0 356.897 5.067 40 10 FKCBRN C[C@@H](NC(=O)c1cccc(Cl)c1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000217852431 525342101 /nfs/dbraw/zinc/34/21/01/525342101.db2.gz AOBUWJBIQFQRLG-HZPDHXFCSA-N 0 0 356.897 5.067 40 10 FKCBRN C[C@H](NC(=O)c1cccc(Cl)c1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000217852536 132272256 /nfs/dbraw/zinc/27/22/56/132272256.db2.gz AOBUWJBIQFQRLG-CVEARBPZSA-N 0 0 356.897 5.067 40 10 FKCBRN Clc1cc(NCc2ccc(N3CCCC3)cc2)ccc1Br ZINC000218006114 571166691 /nfs/dbraw/zinc/16/66/91/571166691.db2.gz QGWJQMOFYRXRSM-UHFFFAOYSA-N 0 0 365.702 5.315 40 10 FKCBRN CCN(CC)c1ccc(CNc2ccc(Br)c(Cl)c2)cc1 ZINC000218006722 571277072 /nfs/dbraw/zinc/27/70/72/571277072.db2.gz WKKHUBFVRRZQEB-UHFFFAOYSA-N 0 0 367.718 5.561 40 10 FKCBRN Cc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000218179668 525951771 /nfs/dbraw/zinc/95/17/71/525951771.db2.gz HNXYITCKCDCZEN-BNCSFYMNSA-N 0 0 362.517 5.122 40 10 FKCBRN Cc1ccc(/C=C/C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000218179751 132272813 /nfs/dbraw/zinc/27/28/13/132272813.db2.gz HNXYITCKCDCZEN-ZTVSIKPCSA-N 0 0 362.517 5.122 40 10 FKCBRN Cc1ccc(/C=C/C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000218179837 525950961 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Cc1ccc(CCC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000218534712 524297600 /nfs/dbraw/zinc/29/76/00/524297600.db2.gz NDFKZNJETAMDNQ-FQEVSTJZSA-N 0 0 364.533 5.041 40 10 FKCBRN Cc1ccc(CCC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000218534787 524299958 /nfs/dbraw/zinc/29/99/58/524299958.db2.gz NDFKZNJETAMDNQ-HXUWFJFHSA-N 0 0 364.533 5.041 40 10 FKCBRN Cc1ccc(CCC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000218534893 524297662 /nfs/dbraw/zinc/29/76/62/524297662.db2.gz LUBZZXMOPKTLCR-UXHICEINSA-N 0 0 364.533 5.041 40 10 FKCBRN Cc1ccc(CCC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000218534972 524300648 /nfs/dbraw/zinc/30/06/48/524300648.db2.gz LUBZZXMOPKTLCR-WOJBJXKFSA-N 0 0 364.533 5.041 40 10 FKCBRN CC(C)Sc1ccccc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000219654526 132274656 /nfs/dbraw/zinc/27/46/56/132274656.db2.gz VPUIJOCEBWGNEM-UHFFFAOYSA-N 0 0 368.546 5.107 40 10 FKCBRN C[C@@H](NC(=O)c1cc2ccccc2o1)c1ccc(N2CCC(C)CC2)cc1 ZINC000219948050 132275509 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5.728 40 10 FKCBRN Clc1ccc2c(c1Cl)N[C@@H](c1ccc3c(c1)OCO3)[C@H]1CC=C[C@@H]21 ZINC000222370424 571277955 /nfs/dbraw/zinc/27/79/55/571277955.db2.gz NGAPJTHKHDFLAW-SOZUMNATSA-N 0 0 360.240 5.549 40 10 FKCBRN COc1ccc([C@@H]2Nc3c4ccccc4ccc3[C@@H]3C=CC[C@@H]32)cc1OC ZINC000222370559 210176726 /nfs/dbraw/zinc/17/67/26/210176726.db2.gz BEDMNTFDXWQOQA-MSYCTHLASA-N 0 0 357.453 5.684 40 10 FKCBRN COc1ccc([C@@H]2Nc3c4ccccc4ccc3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] ZINC000222370677 203878710 /nfs/dbraw/zinc/87/87/10/203878710.db2.gz WJQVSZYSFCCRJB-FGSXEWAUSA-N 0 0 372.424 5.583 40 10 FKCBRN C[C@@H](NC(=O)c1ccc(Cl)cc1F)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000222598251 132277026 /nfs/dbraw/zinc/27/70/26/132277026.db2.gz XVEGLKNXPUOQKS-HUUCEWRRSA-N 0 0 374.887 5.206 40 10 FKCBRN C[C@H](NC(=O)c1ccc(Cl)cc1F)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000222598310 132277385 /nfs/dbraw/zinc/27/73/85/132277385.db2.gz XVEGLKNXPUOQKS-CABCVRRESA-N 0 0 374.887 5.206 40 10 FKCBRN C[C@@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(N2CCC(C)CC2)cc1 ZINC000222631353 132277444 /nfs/dbraw/zinc/27/74/44/132277444.db2.gz HNGQCRNROKDRSE-MRXNPFEDSA-N 0 0 371.912 5.459 40 10 FKCBRN C[C@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(N2CCC(C)CC2)cc1 ZINC000222631410 132277496 /nfs/dbraw/zinc/27/74/96/132277496.db2.gz HNGQCRNROKDRSE-INIZCTEOSA-N 0 0 371.912 5.459 40 10 FKCBRN C[C@@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000222631491 132277396 /nfs/dbraw/zinc/27/73/96/132277396.db2.gz CULXINXWQMNLLO-HZPDHXFCSA-N 0 0 371.912 5.459 40 10 FKCBRN C[C@H](NC(=O)Nc1cccc(Cl)c1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000222631558 132277415 /nfs/dbraw/zinc/27/74/15/132277415.db2.gz CULXINXWQMNLLO-CVEARBPZSA-N 0 0 371.912 5.459 40 10 FKCBRN C[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000222636002 132277479 /nfs/dbraw/zinc/27/74/79/132277479.db2.gz OAGYKSWZAGNAMT-MRXNPFEDSA-N 0 0 371.912 5.459 40 10 FKCBRN C[C@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000222636061 132277634 /nfs/dbraw/zinc/27/76/34/132277634.db2.gz OAGYKSWZAGNAMT-INIZCTEOSA-N 0 0 371.912 5.459 40 10 FKCBRN C[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000222636154 132277546 /nfs/dbraw/zinc/27/75/46/132277546.db2.gz RCNDOJBSGAEAKE-HZPDHXFCSA-N 0 0 371.912 5.459 40 10 FKCBRN C[C@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000222636223 132277392 /nfs/dbraw/zinc/27/73/92/132277392.db2.gz RCNDOJBSGAEAKE-CVEARBPZSA-N 0 0 371.912 5.459 40 10 FKCBRN O=C(CCc1cccc2ccccc21)NCc1ccc(N2CCCCC2)cc1 ZINC000222673124 132277490 /nfs/dbraw/zinc/27/74/90/132277490.db2.gz NGULAVIKEIFRKP-UHFFFAOYSA-N 0 0 372.512 5.079 40 10 FKCBRN CCN(CC)c1ccc(CNC(=O)c2cc3c(ccc4ccccc34)o2)cc1 ZINC000222999969 222761597 /nfs/dbraw/zinc/76/15/97/222761597.db2.gz LNQNCGUNVQMJHS-UHFFFAOYSA-N 0 0 372.468 5.362 40 10 FKCBRN Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1C ZINC000223186465 132278754 /nfs/dbraw/zinc/27/87/54/132278754.db2.gz XDLHFJADYYSBHV-APWZRJJASA-N 0 0 350.506 5.031 40 10 FKCBRN Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1C ZINC000223186522 132279023 /nfs/dbraw/zinc/27/90/23/132279023.db2.gz XDLHFJADYYSBHV-VQIMIIECSA-N 0 0 350.506 5.031 40 10 FKCBRN C[C@@H](NC(=O)c1ccc(Cl)cc1F)c1ccc(N2CCC(C)CC2)cc1 ZINC000223346656 132279288 /nfs/dbraw/zinc/27/92/88/132279288.db2.gz QQFSMNWQDXBNOF-OAHLLOKOSA-N 0 0 374.887 5.206 40 10 FKCBRN C[C@H](NC(=O)c1ccc(Cl)cc1F)c1ccc(N2CCC(C)CC2)cc1 ZINC000223346714 132279280 /nfs/dbraw/zinc/27/92/80/132279280.db2.gz QQFSMNWQDXBNOF-HNNXBMFYSA-N 0 0 374.887 5.206 40 10 FKCBRN Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c(C)c1 ZINC000223471282 132279322 /nfs/dbraw/zinc/27/93/22/132279322.db2.gz OIPHZOMIXWYANT-MJGOQNOKSA-N 0 0 350.506 5.031 40 10 FKCBRN Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c(C)c1 ZINC000223471333 132279256 /nfs/dbraw/zinc/27/92/56/132279256.db2.gz OIPHZOMIXWYANT-IEBWSBKVSA-N 0 0 350.506 5.031 40 10 FKCBRN CCN1C(=O)S/C(=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)C1=O ZINC000223492950 535435332 /nfs/dbraw/zinc/43/53/32/535435332.db2.gz BACRHMAQMVVNTG-WQRHYEAKSA-N 0 0 370.518 5.153 40 10 FKCBRN Cc1cc2c(cc1/C=C1/SC(=O)N(C)C1=O)C(C)=CC(C)(C)N2C(C)C ZINC000223508362 132279555 /nfs/dbraw/zinc/27/95/55/132279555.db2.gz DEIQQRJIPRCDOE-VCHYOVAHSA-N 0 0 370.518 5.071 40 10 FKCBRN CCN1c2ccc(/C=C3\SC(=O)N(C(C)C)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223539047 132279663 /nfs/dbraw/zinc/27/96/63/132279663.db2.gz JNKURIYGPBZXFS-DZBQEORWSA-N 0 0 372.534 5.243 40 10 FKCBRN CCN1C(=O)S/C(=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)C1=O ZINC000223564657 535436071 /nfs/dbraw/zinc/43/60/71/535436071.db2.gz MHNGLNBVPKNRLM-DZBQEORWSA-N 0 0 372.534 5.243 40 10 FKCBRN CCN1C(=O)S/C(=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)C1=O ZINC000223564720 535435106 /nfs/dbraw/zinc/43/51/06/535435106.db2.gz MHNGLNBVPKNRLM-JVVDOCDTSA-N 0 0 372.534 5.243 40 10 FKCBRN CCN1C(=O)S/C(=C\c2cc3c(cc2C)N(CC)C(C)(C)C[C@@H]3C)C1=O ZINC000223584690 535435879 /nfs/dbraw/zinc/43/58/79/535435879.db2.gz RVTIDWUCDANEJP-DZBQEORWSA-N 0 0 372.534 5.163 40 10 FKCBRN Cc1cc2c(cc1/C=C1/SC(=O)N(C)C1=O)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223599068 132279647 /nfs/dbraw/zinc/27/96/47/132279647.db2.gz BBVZEVVULPOSKN-XKYMITNMSA-N 0 0 372.534 5.162 40 10 FKCBRN Cc1cc2c(cc1/C=C1/SC(=O)N(C)C1=O)[C@H](C)CC(C)(C)N2C(C)C ZINC000223599116 132279755 /nfs/dbraw/zinc/27/97/55/132279755.db2.gz BBVZEVVULPOSKN-YFEUJDIGSA-N 0 0 372.534 5.162 40 10 FKCBRN Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1C ZINC000223869347 132280395 /nfs/dbraw/zinc/28/03/95/132280395.db2.gz NFBJJZNTAUWOAD-IBGZPJMESA-N 0 0 350.506 5.031 40 10 FKCBRN Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1C ZINC000223869396 132280385 /nfs/dbraw/zinc/28/03/85/132280385.db2.gz NFBJJZNTAUWOAD-LJQANCHMSA-N 0 0 350.506 5.031 40 10 FKCBRN Cc1ccc(C)c(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000223945119 132280836 /nfs/dbraw/zinc/28/08/36/132280836.db2.gz JBCIPKBEZGLTCK-MJGOQNOKSA-N 0 0 350.506 5.031 40 10 FKCBRN Cc1ccc(C)c(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000223945179 132280913 /nfs/dbraw/zinc/28/09/13/132280913.db2.gz JBCIPKBEZGLTCK-IEBWSBKVSA-N 0 0 350.506 5.031 40 10 FKCBRN CCN(CC)c1ccc(CNC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000224040898 570975455 /nfs/dbraw/zinc/97/54/55/570975455.db2.gz NBPIMQALJFVNCU-UHFFFAOYSA-N 0 0 358.485 5.130 40 10 FKCBRN Cc1ccc(C)c(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000224143808 132281773 /nfs/dbraw/zinc/28/17/73/132281773.db2.gz GZFLAEGADMNLEL-IBGZPJMESA-N 0 0 350.506 5.031 40 10 FKCBRN Cc1ccc(C)c(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000224143863 132281641 /nfs/dbraw/zinc/28/16/41/132281641.db2.gz GZFLAEGADMNLEL-LJQANCHMSA-N 0 0 350.506 5.031 40 10 FKCBRN CCN(CC)c1ccc(CNC(=O)CCc2ccc(C(C)(C)C)cc2)cc1 ZINC000224256746 209781404 /nfs/dbraw/zinc/78/14/04/209781404.db2.gz PDPMTCHIDBJKIX-UHFFFAOYSA-N 0 0 366.549 5.079 40 10 FKCBRN CCN(CC)c1ccc(CNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 ZINC000224318973 570984222 /nfs/dbraw/zinc/98/42/22/570984222.db2.gz AZZOTXQASSDJCX-SFQUDFHCSA-N 0 0 364.533 5.160 40 10 FKCBRN Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c(C)c1 ZINC000224507866 570991928 /nfs/dbraw/zinc/99/19/28/570991928.db2.gz OZACVQOWMNCYQB-IBGZPJMESA-N 0 0 350.506 5.031 40 10 FKCBRN Cc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c(C)c1 ZINC000224507926 570991759 /nfs/dbraw/zinc/99/17/59/570991759.db2.gz OZACVQOWMNCYQB-LJQANCHMSA-N 0 0 350.506 5.031 40 10 FKCBRN C[C@@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc(N2CCCCC2)cc1 ZINC000225309398 132284403 /nfs/dbraw/zinc/28/44/03/132284403.db2.gz FTMQKLDRZRJHOR-QGZVFWFLSA-N 0 0 370.924 5.140 40 10 FKCBRN C[C@H](NC(=O)CCc1ccc(Cl)cc1)c1ccc(N2CCCCC2)cc1 ZINC000225309435 132284400 /nfs/dbraw/zinc/28/44/00/132284400.db2.gz FTMQKLDRZRJHOR-KRWDZBQOSA-N 0 0 370.924 5.140 40 10 FKCBRN CC(C)c1ccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000225415345 132284690 /nfs/dbraw/zinc/28/46/90/132284690.db2.gz FUIFPQBZEYZOSA-UHFFFAOYSA-N 0 0 367.562 5.287 40 10 FKCBRN Cc1ccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)cc1Cl ZINC000225416329 132284623 /nfs/dbraw/zinc/28/46/23/132284623.db2.gz IXMMPDAZKNDTHM-UHFFFAOYSA-N 0 0 373.953 5.125 40 10 FKCBRN C[C@@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccc(N2CCCCC2)cc1 ZINC000225632781 132285626 /nfs/dbraw/zinc/28/56/26/132285626.db2.gz ASJPFCXLVYYCDI-GOSISDBHSA-N 0 0 362.517 5.047 40 10 FKCBRN C[C@H](NC(=O)c1ccc2c(c1)CCCC2)c1ccc(N2CCCCC2)cc1 ZINC000225632811 132285698 /nfs/dbraw/zinc/28/56/98/132285698.db2.gz ASJPFCXLVYYCDI-SFHVURJKSA-N 0 0 362.517 5.047 40 10 FKCBRN Cc1cc(C)c(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1C ZINC000225650066 132285619 /nfs/dbraw/zinc/28/56/19/132285619.db2.gz KHRFIYNRTMHULO-FQEVSTJZSA-N 0 0 364.533 5.339 40 10 FKCBRN Cc1cc(C)c(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1C ZINC000225650090 132285648 /nfs/dbraw/zinc/28/56/48/132285648.db2.gz KHRFIYNRTMHULO-HXUWFJFHSA-N 0 0 364.533 5.339 40 10 FKCBRN Cc1cc(C)c(C(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1C ZINC000225650220 132285677 /nfs/dbraw/zinc/28/56/77/132285677.db2.gz MJUKVEBNYSMWFN-IBGZPJMESA-N 0 0 350.506 5.093 40 10 FKCBRN Cc1cc(C)c(C(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1C ZINC000225650245 132285663 /nfs/dbraw/zinc/28/56/63/132285663.db2.gz MJUKVEBNYSMWFN-LJQANCHMSA-N 0 0 350.506 5.093 40 10 FKCBRN Cc1cc(C)c(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1C ZINC000225650274 132285642 /nfs/dbraw/zinc/28/56/42/132285642.db2.gz HOOGKCYBGUNWEX-UZLBHIALSA-N 0 0 364.533 5.339 40 10 FKCBRN Cc1cc(C)c(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1C ZINC000225650296 132285686 /nfs/dbraw/zinc/28/56/86/132285686.db2.gz HOOGKCYBGUNWEX-OXQOHEQNSA-N 0 0 364.533 5.339 40 10 FKCBRN Cc1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000225653555 132285675 /nfs/dbraw/zinc/28/56/75/132285675.db2.gz YQPFSSITZNYOGP-SFHVURJKSA-N 0 0 367.562 5.279 40 10 FKCBRN Cc1cccc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 ZINC000225653585 132285649 /nfs/dbraw/zinc/28/56/49/132285649.db2.gz YQPFSSITZNYOGP-GOSISDBHSA-N 0 0 367.562 5.279 40 10 FKCBRN Cc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000225653622 132285676 /nfs/dbraw/zinc/28/56/76/132285676.db2.gz CGQYKNYZZWBKFB-SFHVURJKSA-N 0 0 367.562 5.279 40 10 FKCBRN Cc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 ZINC000225653645 132285688 /nfs/dbraw/zinc/28/56/88/132285688.db2.gz CGQYKNYZZWBKFB-GOSISDBHSA-N 0 0 367.562 5.279 40 10 FKCBRN C[C@@H](NC(=S)Nc1ccccc1F)c1ccc(N2CCC(C)CC2)cc1 ZINC000225654732 132285658 /nfs/dbraw/zinc/28/56/58/132285658.db2.gz OHWBRXMXMDXROX-MRXNPFEDSA-N 0 0 371.525 5.110 40 10 FKCBRN C[C@H](NC(=S)Nc1ccccc1F)c1ccc(N2CCC(C)CC2)cc1 ZINC000225654756 132285662 /nfs/dbraw/zinc/28/56/62/132285662.db2.gz OHWBRXMXMDXROX-INIZCTEOSA-N 0 0 371.525 5.110 40 10 FKCBRN C[C@@H](NC(=S)Nc1ccc(F)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000225654774 132285641 /nfs/dbraw/zinc/28/56/41/132285641.db2.gz VIWVUWMYXYNNFE-MRXNPFEDSA-N 0 0 371.525 5.110 40 10 FKCBRN C[C@H](NC(=S)Nc1ccc(F)cc1)c1ccc(N2CCC(C)CC2)cc1 ZINC000225654786 132285605 /nfs/dbraw/zinc/28/56/05/132285605.db2.gz VIWVUWMYXYNNFE-INIZCTEOSA-N 0 0 371.525 5.110 40 10 FKCBRN C[C@@H](NC(=S)Nc1cccc(F)c1)c1ccc(N2CCC(C)CC2)cc1 ZINC000225655184 132285706 /nfs/dbraw/zinc/28/57/06/132285706.db2.gz NCVOCSQFFFNQNZ-MRXNPFEDSA-N 0 0 371.525 5.110 40 10 FKCBRN C[C@H](NC(=S)Nc1cccc(F)c1)c1ccc(N2CCC(C)CC2)cc1 ZINC000225655209 132285622 /nfs/dbraw/zinc/28/56/22/132285622.db2.gz NCVOCSQFFFNQNZ-INIZCTEOSA-N 0 0 371.525 5.110 40 10 FKCBRN Cc1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000225662402 132285837 /nfs/dbraw/zinc/28/58/37/132285837.db2.gz TWZNBZNXSZZRDK-KRWDZBQOSA-N 0 0 353.535 5.033 40 10 FKCBRN Cc1cccc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000225662422 132285825 /nfs/dbraw/zinc/28/58/25/132285825.db2.gz TWZNBZNXSZZRDK-QGZVFWFLSA-N 0 0 353.535 5.033 40 10 FKCBRN Cc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1 ZINC000225662453 132285946 /nfs/dbraw/zinc/28/59/46/132285946.db2.gz PHZIYUHYBDMRNW-KRWDZBQOSA-N 0 0 353.535 5.033 40 10 FKCBRN Cc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1 ZINC000225662477 132285921 /nfs/dbraw/zinc/28/59/21/132285921.db2.gz PHZIYUHYBDMRNW-QGZVFWFLSA-N 0 0 353.535 5.033 40 10 FKCBRN Cc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c(C)c1 ZINC000225662524 132286061 /nfs/dbraw/zinc/28/60/61/132286061.db2.gz CTMRROIQSLJDTE-SFHVURJKSA-N 0 0 367.562 5.341 40 10 FKCBRN Cc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)c(C)c1 ZINC000225662557 132285962 /nfs/dbraw/zinc/28/59/62/132285962.db2.gz CTMRROIQSLJDTE-GOSISDBHSA-N 0 0 367.562 5.341 40 10 FKCBRN Cc1ccc(C)c(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000225662596 132285949 /nfs/dbraw/zinc/28/59/49/132285949.db2.gz UWVWPERYRYBMIX-SFHVURJKSA-N 0 0 367.562 5.341 40 10 FKCBRN Cc1ccc(C)c(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000225662632 132285896 /nfs/dbraw/zinc/28/58/96/132285896.db2.gz UWVWPERYRYBMIX-GOSISDBHSA-N 0 0 367.562 5.341 40 10 FKCBRN Cc1cc(C)cc(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000225662667 132285933 /nfs/dbraw/zinc/28/59/33/132285933.db2.gz XLNKFSKANBSDSE-SFHVURJKSA-N 0 0 367.562 5.341 40 10 FKCBRN Cc1cc(C)cc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)c1 ZINC000225662695 132286087 /nfs/dbraw/zinc/28/60/87/132286087.db2.gz XLNKFSKANBSDSE-GOSISDBHSA-N 0 0 367.562 5.341 40 10 FKCBRN Cc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1C ZINC000225662736 132285981 /nfs/dbraw/zinc/28/59/81/132285981.db2.gz JXSBSSZBGDZVOJ-SFHVURJKSA-N 0 0 367.562 5.341 40 10 FKCBRN Cc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1C ZINC000225662758 132285986 /nfs/dbraw/zinc/28/59/86/132285986.db2.gz JXSBSSZBGDZVOJ-GOSISDBHSA-N 0 0 367.562 5.341 40 10 FKCBRN C[C@@H](NC(=S)Nc1ccccc1Cl)c1ccc(N2CCCCC2)cc1 ZINC000225662865 132285959 /nfs/dbraw/zinc/28/59/59/132285959.db2.gz HIXNBUXCYKKRNC-OAHLLOKOSA-N 0 0 373.953 5.378 40 10 FKCBRN C[C@H](NC(=S)Nc1ccccc1Cl)c1ccc(N2CCCCC2)cc1 ZINC000225662887 132286085 /nfs/dbraw/zinc/28/60/85/132286085.db2.gz HIXNBUXCYKKRNC-HNNXBMFYSA-N 0 0 373.953 5.378 40 10 FKCBRN C[C@@H](NC(=S)Nc1cccc(Cl)c1)c1ccc(N2CCCCC2)cc1 ZINC000225662928 132285846 /nfs/dbraw/zinc/28/58/46/132285846.db2.gz QRVCPVVYHNEDMX-OAHLLOKOSA-N 0 0 373.953 5.378 40 10 FKCBRN C[C@H](NC(=S)Nc1cccc(Cl)c1)c1ccc(N2CCCCC2)cc1 ZINC000225662955 132285878 /nfs/dbraw/zinc/28/58/78/132285878.db2.gz QRVCPVVYHNEDMX-HNNXBMFYSA-N 0 0 373.953 5.378 40 10 FKCBRN C[C@@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc(N2CCCCC2)cc1 ZINC000225662996 132286090 /nfs/dbraw/zinc/28/60/90/132286090.db2.gz OWGPWVSTFSIRNG-OAHLLOKOSA-N 0 0 373.953 5.378 40 10 FKCBRN C[C@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc(N2CCCCC2)cc1 ZINC000225663017 132286035 /nfs/dbraw/zinc/28/60/35/132286035.db2.gz OWGPWVSTFSIRNG-HNNXBMFYSA-N 0 0 373.953 5.378 40 10 FKCBRN CCc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1 ZINC000225663667 132285813 /nfs/dbraw/zinc/28/58/13/132285813.db2.gz KLJQUFYKOITKOF-KRWDZBQOSA-N 0 0 367.562 5.287 40 10 FKCBRN CCc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1 ZINC000225663694 132286045 /nfs/dbraw/zinc/28/60/45/132286045.db2.gz KLJQUFYKOITKOF-QGZVFWFLSA-N 0 0 367.562 5.287 40 10 FKCBRN Cc1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000225667087 132286093 /nfs/dbraw/zinc/28/60/93/132286093.db2.gz IWGLBPRDBMMZTA-MSOLQXFVSA-N 0 0 367.562 5.279 40 10 FKCBRN Cc1cccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000225667115 132285833 /nfs/dbraw/zinc/28/58/33/132285833.db2.gz IWGLBPRDBMMZTA-QZTJIDSGSA-N 0 0 367.562 5.279 40 10 FKCBRN Cc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000225667156 132285893 /nfs/dbraw/zinc/28/58/93/132285893.db2.gz LTRNVVNUUDYPLS-MSOLQXFVSA-N 0 0 367.562 5.279 40 10 FKCBRN Cc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 ZINC000225667188 132285883 /nfs/dbraw/zinc/28/58/83/132285883.db2.gz LTRNVVNUUDYPLS-QZTJIDSGSA-N 0 0 367.562 5.279 40 10 FKCBRN C[C@@H](NC(=S)Nc1ccccc1F)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225668488 132285955 /nfs/dbraw/zinc/28/59/55/132285955.db2.gz OPMRIHNNPFHYHE-HZPDHXFCSA-N 0 0 371.525 5.110 40 10 FKCBRN C[C@H](NC(=S)Nc1ccccc1F)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225668512 132285989 /nfs/dbraw/zinc/28/59/89/132285989.db2.gz OPMRIHNNPFHYHE-CVEARBPZSA-N 0 0 371.525 5.110 40 10 FKCBRN C[C@@H](NC(=S)Nc1ccc(F)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225668553 132286055 /nfs/dbraw/zinc/28/60/55/132286055.db2.gz PVKKRLOSSCCECN-HZPDHXFCSA-N 0 0 371.525 5.110 40 10 FKCBRN C[C@H](NC(=S)Nc1ccc(F)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225668592 132285982 /nfs/dbraw/zinc/28/59/82/132285982.db2.gz PVKKRLOSSCCECN-CVEARBPZSA-N 0 0 371.525 5.110 40 10 FKCBRN C[C@@H](NC(=S)Nc1cccc(F)c1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225669060 132286059 /nfs/dbraw/zinc/28/60/59/132286059.db2.gz STRWMYPOBVFXMA-HZPDHXFCSA-N 0 0 371.525 5.110 40 10 FKCBRN C[C@H](NC(=S)Nc1cccc(F)c1)c1ccc(N2CCC[C@@H](C)C2)cc1 ZINC000225669082 132286021 /nfs/dbraw/zinc/28/60/21/132286021.db2.gz STRWMYPOBVFXMA-CVEARBPZSA-N 0 0 371.525 5.110 40 10 FKCBRN Cc1ccc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c(C)c1 ZINC000225689319 132286047 /nfs/dbraw/zinc/28/60/47/132286047.db2.gz VJWXVDGETPZLTJ-QGZVFWFLSA-N 0 0 367.562 5.026 40 10 FKCBRN Cc1ccc(C)c(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000225689359 132285941 /nfs/dbraw/zinc/28/59/41/132285941.db2.gz NMINNVKAXHBNHB-QGZVFWFLSA-N 0 0 367.562 5.026 40 10 FKCBRN Cc1cc(C)cc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c1 ZINC000225689396 132285953 /nfs/dbraw/zinc/28/59/53/132285953.db2.gz RFZKNUBIAXZMIP-MRXNPFEDSA-N 0 0 367.562 5.026 40 10 FKCBRN Cc1ccc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1C ZINC000225689437 132285889 /nfs/dbraw/zinc/28/58/89/132285889.db2.gz CDFGBKRCZOXLHX-MRXNPFEDSA-N 0 0 367.562 5.026 40 10 FKCBRN C[C@@H]1CCCN(c2ccc(CNC(=S)Nc3ccccc3Cl)cc2)C1 ZINC000225689516 132285819 /nfs/dbraw/zinc/28/58/19/132285819.db2.gz FELKPOFQIDQEJG-OAHLLOKOSA-N 0 0 373.953 5.063 40 10 FKCBRN C[C@H]1CCCN(c2ccc(CNC(=S)Nc3ccccc3Cl)cc2)C1 ZINC000225689542 132286037 /nfs/dbraw/zinc/28/60/37/132286037.db2.gz FELKPOFQIDQEJG-HNNXBMFYSA-N 0 0 373.953 5.063 40 10 FKCBRN C[C@@H]1CCCN(c2ccc(CNC(=S)Nc3cccc(Cl)c3)cc2)C1 ZINC000225689572 132285991 /nfs/dbraw/zinc/28/59/91/132285991.db2.gz BATBKWOHYRABCD-OAHLLOKOSA-N 0 0 373.953 5.063 40 10 FKCBRN C[C@H]1CCCN(c2ccc(CNC(=S)Nc3cccc(Cl)c3)cc2)C1 ZINC000225689604 132285815 /nfs/dbraw/zinc/28/58/15/132285815.db2.gz BATBKWOHYRABCD-HNNXBMFYSA-N 0 0 373.953 5.063 40 10 FKCBRN C[C@@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(Cl)cc3)cc2)C1 ZINC000225689641 132285817 /nfs/dbraw/zinc/28/58/17/132285817.db2.gz DPDOIJCSYFLXOD-OAHLLOKOSA-N 0 0 373.953 5.063 40 10 FKCBRN C[C@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(Cl)cc3)cc2)C1 ZINC000225689665 132286080 /nfs/dbraw/zinc/28/60/80/132286080.db2.gz DPDOIJCSYFLXOD-HNNXBMFYSA-N 0 0 373.953 5.063 40 10 FKCBRN CC(C)c1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)cc1 ZINC000225693829 222860709 /nfs/dbraw/zinc/86/07/09/222860709.db2.gz KCDDPQCDTQJNMJ-KRWDZBQOSA-N 0 0 367.562 5.458 40 10 FKCBRN CC(C)c1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)cc1 ZINC000225693856 571056273 /nfs/dbraw/zinc/05/62/73/571056273.db2.gz KCDDPQCDTQJNMJ-QGZVFWFLSA-N 0 0 367.562 5.458 40 10 FKCBRN Cc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)cc1Cl ZINC000225694601 571056470 /nfs/dbraw/zinc/05/64/70/571056470.db2.gz DAFKQPFXCCHMFH-HNNXBMFYSA-N 0 0 373.953 5.296 40 10 FKCBRN Cc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)cc1Cl ZINC000225694618 571056533 /nfs/dbraw/zinc/05/65/33/571056533.db2.gz DAFKQPFXCCHMFH-OAHLLOKOSA-N 0 0 373.953 5.296 40 10 FKCBRN CCN(CCCNC(=S)Nc1ccc(C(C)C)cc1)c1ccc(C)cc1 ZINC000225732737 571059946 /nfs/dbraw/zinc/05/99/46/571059946.db2.gz YJVPJLKDJSDUJR-UHFFFAOYSA-N 0 0 369.578 5.321 40 10 FKCBRN Cc1ccc(CCC(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1C ZINC000225805648 132286934 /nfs/dbraw/zinc/28/69/34/132286934.db2.gz OLKSOFKTFNWNQU-FQEVSTJZSA-N 0 0 364.533 5.104 40 10 FKCBRN Cc1ccc(CCC(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1C ZINC000225805668 132286952 /nfs/dbraw/zinc/28/69/52/132286952.db2.gz OLKSOFKTFNWNQU-HXUWFJFHSA-N 0 0 364.533 5.104 40 10 FKCBRN Clc1ccc2c(c1Cl)N[C@@H](c1cccc3ccccc31)[C@H]1CC=C[C@@H]21 ZINC000226704508 571278514 /nfs/dbraw/zinc/27/85/14/571278514.db2.gz RGOBVVYRPHQYTH-KUDFPVQQSA-N 0 0 366.291 6.973 40 10 FKCBRN COC(=O)c1cccc2c1N[C@@H](c1cccc3ccccc31)[C@H]1CC=C[C@@H]21 ZINC000226705271 571278507 /nfs/dbraw/zinc/27/85/07/571278507.db2.gz QMEJNAGSYKJZBY-LZNRXBQRSA-N 0 0 355.437 5.453 40 10 FKCBRN Clc1cccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@@H]32)c1 ZINC000226706095 571278502 /nfs/dbraw/zinc/27/85/02/571278502.db2.gz BTMUJNMYBUJECW-KEYYUXOJSA-N 0 0 360.682 5.929 40 10 FKCBRN Clc1cccc([C@@H]2Nc3c(Cl)c(Cl)ccc3[C@@H]3C=CC[C@@H]32)c1 ZINC000226706683 571278448 /nfs/dbraw/zinc/27/84/48/571278448.db2.gz HUUHMPYQQVBOKJ-IGCXYCKISA-N 0 0 350.676 6.473 40 10 FKCBRN CC(C)c1ccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000226707727 571278488 /nfs/dbraw/zinc/27/84/88/571278488.db2.gz WOBZGNWCAYTYNQ-GUXCAODWSA-N 0 0 358.312 6.943 40 10 FKCBRN CC(C)c1ccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000226711146 571278451 /nfs/dbraw/zinc/27/84/51/571278451.db2.gz RROLBERKZZPWIA-UWVAXJGDSA-N 0 0 368.318 6.399 40 10 FKCBRN CC(C)c1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000226711471 571278501 /nfs/dbraw/zinc/27/85/01/571278501.db2.gz JSUNBNZZPXRZCM-UWVAXJGDSA-N 0 0 358.312 6.943 40 10 FKCBRN CC(C)c1ccc([C@@H]2Nc3c(Cl)c(Cl)ccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000226711711 571278496 /nfs/dbraw/zinc/27/84/96/571278496.db2.gz REJIZECOMRJKMT-GUXCAODWSA-N 0 0 358.312 6.943 40 10 FKCBRN Clc1ccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000226713774 571278495 /nfs/dbraw/zinc/27/84/95/571278495.db2.gz JPWYRCKAGWDFCM-GLJUWKHASA-N 0 0 350.676 6.473 40 10 FKCBRN Clc1ccc(Cl)c2c1N[C@@H](c1cccc3ccccc31)[C@H]1CC=C[C@@H]21 ZINC000226714737 571278511 /nfs/dbraw/zinc/27/85/11/571278511.db2.gz ZPVANONVGNAIDH-KUDFPVQQSA-N 0 0 366.291 6.973 40 10 FKCBRN Clc1ccc([C@@H]2Nc3c(Cl)c(Cl)ccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000226720549 571278458 /nfs/dbraw/zinc/27/84/58/571278458.db2.gz DEJOHIINSRWWFY-IGCXYCKISA-N 0 0 350.676 6.473 40 10 FKCBRN Clc1cccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)c1 ZINC000226721095 571278490 /nfs/dbraw/zinc/27/84/90/571278490.db2.gz RUHJOFINEFZQFX-KEYYUXOJSA-N 0 0 350.676 6.473 40 10 FKCBRN Clc1cccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)c1 ZINC000226722336 571278486 /nfs/dbraw/zinc/27/84/86/571278486.db2.gz BOEKGCDJXVCDHK-IGCXYCKISA-N 0 0 350.676 6.473 40 10 FKCBRN Clc1ccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000226723974 571278454 /nfs/dbraw/zinc/27/84/54/571278454.db2.gz CSXCUGSABUVPLV-KEYYUXOJSA-N 0 0 360.682 5.929 40 10 FKCBRN CC(C)c1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000226724742 571278518 /nfs/dbraw/zinc/27/85/18/571278518.db2.gz JOVUMUNKSFAUEH-LQWHRVPQSA-N 0 0 368.318 6.399 40 10 FKCBRN CC(C)c1ccc([C@@H]2Nc3cc(Cl)cc(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000226725805 571278506 /nfs/dbraw/zinc/27/85/06/571278506.db2.gz VOSCFDGDFMTAJK-WWMYMODYSA-N 0 0 358.312 6.943 40 10 FKCBRN Clc1ccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000226726693 571278499 /nfs/dbraw/zinc/27/84/99/571278499.db2.gz IZONODDICVDBRA-IGCXYCKISA-N 0 0 350.676 6.473 40 10 FKCBRN Clc1cccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)c1 ZINC000226728329 571278509 /nfs/dbraw/zinc/27/85/09/571278509.db2.gz PINBKNSBCWPSSS-VKJFTORMSA-N 0 0 360.682 5.929 40 10 FKCBRN CCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000226732056 571278513 /nfs/dbraw/zinc/27/85/13/571278513.db2.gz FPWMXZXNXIURIQ-LVCYWYKZSA-N 0 0 366.892 5.306 40 10 FKCBRN CCCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 ZINC000226732073 571278478 /nfs/dbraw/zinc/27/84/78/571278478.db2.gz FPWMXZXNXIURIQ-DBXWQHBBSA-N 0 0 366.892 5.306 40 10 FKCBRN Cc1cc(C)c2c(c1)N[C@@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@@H]21 ZINC000226737544 571278508 /nfs/dbraw/zinc/27/85/08/571278508.db2.gz WCECIIXYMYYNBU-QEEYODRMSA-N 0 0 354.837 5.692 40 10 FKCBRN O=[N+]([O-])c1cccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)c1 ZINC000226738711 571278503 /nfs/dbraw/zinc/27/85/03/571278503.db2.gz DRWOKDMDBZWLGV-IGCXYCKISA-N 0 0 361.228 5.728 40 10 FKCBRN COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 ZINC000226739148 571278484 /nfs/dbraw/zinc/27/84/84/571278484.db2.gz NIHYEDPGBPBMJC-BIENJYKASA-N 0 0 356.809 5.083 40 10 FKCBRN COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 ZINC000226739158 571278473 /nfs/dbraw/zinc/27/84/73/571278473.db2.gz NIHYEDPGBPBMJC-PJIJBLCYSA-N 0 0 356.809 5.083 40 10 FKCBRN CCOc1cccc2c1N[C@@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@@H]21 ZINC000226739427 571278463 /nfs/dbraw/zinc/27/84/63/571278463.db2.gz AFLXZSJTPYNEHD-BIENJYKASA-N 0 0 370.836 5.473 40 10 FKCBRN Clc1ccccc1[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@@H]2C=CC[C@@H]21 ZINC000226740489 571278497 /nfs/dbraw/zinc/27/84/97/571278497.db2.gz MWKLVYOMZIYTSL-VGTOOOLASA-N 0 0 350.676 6.473 40 10 FKCBRN O=[N+]([O-])c1cc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)ccc1Cl ZINC000226740690 571278498 /nfs/dbraw/zinc/27/84/98/571278498.db2.gz URICOLXSRDVKHI-PEBVRCNWSA-N 0 0 361.228 5.728 40 10 FKCBRN O=[N+]([O-])c1cc([C@@H]2Nc3ccc(Cl)cc3[C@@H]3C=CC[C@@H]32)ccc1Cl ZINC000226740705 571278468 /nfs/dbraw/zinc/27/84/68/571278468.db2.gz ZUQUCSWFSWZVKP-VBHSOAQHSA-N 0 0 361.228 5.728 40 10 FKCBRN O=[N+]([O-])c1cccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@@H]32)c1 ZINC000226741494 571278444 /nfs/dbraw/zinc/27/84/44/571278444.db2.gz RMRYPJLGDPGCMC-KEYYUXOJSA-N 0 0 371.234 5.184 40 10 FKCBRN Cc1ccc2c(c1C)N[C@@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@@H]21 ZINC000226743535 571278510 /nfs/dbraw/zinc/27/85/10/571278510.db2.gz UKVKZAZXEUDYHU-QEEYODRMSA-N 0 0 354.837 5.692 40 10 FKCBRN Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 ZINC000226747132 571278480 /nfs/dbraw/zinc/27/84/80/571278480.db2.gz BHOXVVRFZHAOKB-QEEYODRMSA-N 0 0 354.837 5.692 40 10 FKCBRN Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 ZINC000226747147 571278504 /nfs/dbraw/zinc/27/85/04/571278504.db2.gz BHOXVVRFZHAOKB-STXHMFSFSA-N 0 0 354.837 5.692 40 10 FKCBRN CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 ZINC000226747159 571278439 /nfs/dbraw/zinc/27/84/39/571278439.db2.gz VGZSDSXRQLFDSD-QEEYODRMSA-N 0 0 370.836 5.473 40 10 FKCBRN CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 ZINC000226747168 571278517 /nfs/dbraw/zinc/27/85/17/571278517.db2.gz VGZSDSXRQLFDSD-STXHMFSFSA-N 0 0 370.836 5.473 40 10 FKCBRN Clc1ccccc1[C@@H]1Nc2c(Br)cccc2[C@@H]2C=CC[C@@H]21 ZINC000226747177 571278519 /nfs/dbraw/zinc/27/85/19/571278519.db2.gz OFEUBFOOQUKLIR-BWACUDIHSA-N 0 0 360.682 5.929 40 10 FKCBRN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 ZINC000226747710 571278446 /nfs/dbraw/zinc/27/84/46/571278446.db2.gz DMQHUXDHEQWIKL-QEEYODRMSA-N 0 0 368.820 5.277 40 10 FKCBRN CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 ZINC000226747724 571278466 /nfs/dbraw/zinc/27/84/66/571278466.db2.gz DMQHUXDHEQWIKL-STXHMFSFSA-N 0 0 368.820 5.277 40 10 FKCBRN Cc1ccc2c(c1C)N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 ZINC000226777838 571278512 /nfs/dbraw/zinc/27/85/12/571278512.db2.gz AZRLHYBKBPJCMI-UWVAXJGDSA-N 0 0 354.291 5.892 40 10 FKCBRN CCOc1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 ZINC000226781689 571278456 /nfs/dbraw/zinc/27/84/56/571278456.db2.gz AWPUJRJYGSRVPK-GJYPPUQNSA-N 0 0 370.290 5.674 40 10 FKCBRN O=[N+]([O-])c1ccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000226789145 571278441 /nfs/dbraw/zinc/27/84/41/571278441.db2.gz LCNPUJSRWLBUHS-KEYYUXOJSA-N 0 0 371.234 5.184 40 10 FKCBRN O=[N+]([O-])c1ccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000226793701 571278470 /nfs/dbraw/zinc/27/84/70/571278470.db2.gz QVIKKBVZCZGFDL-IGCXYCKISA-N 0 0 361.228 5.728 40 10 FKCBRN COc1ccc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000226794587 571278474 /nfs/dbraw/zinc/27/84/74/571278474.db2.gz MNQGAISZGTYEEP-SLSDLSHTSA-N 0 0 369.464 6.314 40 10 FKCBRN Cc1ccc(Cl)c2c1N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 ZINC000226795062 571278515 /nfs/dbraw/zinc/27/85/15/571278515.db2.gz DQNZDSNEBKYKNN-VCBZYWHSSA-N 0 0 374.709 6.237 40 10 FKCBRN COc1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000226797764 571278505 /nfs/dbraw/zinc/27/85/05/571278505.db2.gz AAGDIOUPLLQCCV-GJYPPUQNSA-N 0 0 356.263 5.284 40 10 FKCBRN COc1cccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@@H]32)c1 ZINC000226806853 571278492 /nfs/dbraw/zinc/27/84/92/571278492.db2.gz IOSZSFCZHHBMHK-VKJFTORMSA-N 0 0 356.263 5.284 40 10 FKCBRN CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2 ZINC000226829192 571278500 /nfs/dbraw/zinc/27/85/00/571278500.db2.gz NCGOAQALRAAJLZ-CKNLXJGOSA-N 0 0 360.284 6.219 40 10 FKCBRN CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2 ZINC000226829207 571278516 /nfs/dbraw/zinc/27/85/16/571278516.db2.gz NCGOAQALRAAJLZ-JZKQVHKSSA-N 0 0 360.284 6.219 40 10 FKCBRN O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(Cl)c(Cl)ccc2[C@@H]2C=CC[C@@H]21 ZINC000226830688 571277132 /nfs/dbraw/zinc/27/71/32/571277132.db2.gz TUKAVSZGWYXKGM-VGTOOOLASA-N 0 0 361.228 5.728 40 10 FKCBRN Clc1cccc([C@@H]2Nc3c4ccccc4ccc3[C@@H]3C=CC[C@@H]32)c1Cl ZINC000226832012 571278563 /nfs/dbraw/zinc/27/85/63/571278563.db2.gz CNJFWWJLRYLOSA-ZMPRRUGASA-N 0 0 366.291 6.973 40 10 FKCBRN Clc1ccc([C@@H]2Nc3c4ccccc4ccc3[C@@H]3C=CC[C@@H]32)c(Cl)c1 ZINC000226834474 571278598 /nfs/dbraw/zinc/27/85/98/571278598.db2.gz JTKQRCYALJQLLT-HYFFOGBASA-N 0 0 366.291 6.973 40 10 FKCBRN Clc1ccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)c(Cl)c1 ZINC000226837175 571278614 /nfs/dbraw/zinc/27/86/14/571278614.db2.gz VTFWFOROGDVHFL-BWACUDIHSA-N 0 0 350.676 6.473 40 10 FKCBRN COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000226843149 571278601 /nfs/dbraw/zinc/27/86/01/571278601.db2.gz QYSUPMKNRYYPJO-LPMFXHHGSA-N 0 0 374.267 5.607 40 10 FKCBRN COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2 ZINC000226846133 571278582 /nfs/dbraw/zinc/27/85/82/571278582.db2.gz HCPFKIUXPUTABQ-NQCMUKECSA-N 0 0 374.267 5.607 40 10 FKCBRN COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2 ZINC000226846143 571278578 /nfs/dbraw/zinc/27/85/78/571278578.db2.gz HCPFKIUXPUTABQ-VPZZIHKRSA-N 0 0 374.267 5.607 40 10 FKCBRN O=[N+]([O-])c1ccccc1[C@@H]1Nc2cc(Cl)cc(Cl)c2[C@@H]2C=CC[C@@H]21 ZINC000226847167 571278603 /nfs/dbraw/zinc/27/86/03/571278603.db2.gz BLNAKYYBLDVBPK-FTLABTOESA-N 0 0 361.228 5.728 40 10 FKCBRN Cc1c(Cl)ccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21 ZINC000226850333 571278604 /nfs/dbraw/zinc/27/86/04/571278604.db2.gz BYAWTCXKTYWEAJ-CLUVUEOHSA-N 0 0 364.703 6.782 40 10 FKCBRN Cc1c(Cl)ccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21 ZINC000226850346 571278557 /nfs/dbraw/zinc/27/85/57/571278557.db2.gz BYAWTCXKTYWEAJ-UFYHVXEKSA-N 0 0 364.703 6.782 40 10 FKCBRN COC(=O)c1cccc2c1N[C@@H](c1c(Cl)cccc1Cl)[C@H]1CC=C[C@@H]21 ZINC000226854922 571278576 /nfs/dbraw/zinc/27/85/76/571278576.db2.gz LDBKWHYXDRJWSS-MJLGCCKJSA-N 0 0 374.267 5.607 40 10 FKCBRN CCOc1ccc([C@@H]2Nc3c(Cl)c(Cl)ccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000226856439 571278607 /nfs/dbraw/zinc/27/86/07/571278607.db2.gz NNMXXAULGQQLQH-VCBZYWHSSA-N 0 0 360.284 6.219 40 10 FKCBRN CCOc1ccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000226858044 571278602 /nfs/dbraw/zinc/27/86/02/571278602.db2.gz SDWIKAZLMLYLIC-VCBZYWHSSA-N 0 0 360.284 6.219 40 10 FKCBRN Cc1cccc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1 ZINC000226869205 571278559 /nfs/dbraw/zinc/27/85/59/571278559.db2.gz VNDPFHBBXLPODM-SLSDLSHTSA-N 0 0 353.465 6.614 40 10 FKCBRN CCOc1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000226871271 571278555 /nfs/dbraw/zinc/27/85/55/571278555.db2.gz CWURJMZABCIAKG-GJYPPUQNSA-N 0 0 360.284 6.219 40 10 FKCBRN CCOc1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000226872647 571278606 /nfs/dbraw/zinc/27/86/06/571278606.db2.gz PUFZSGPDRHCWDK-UWVAXJGDSA-N 0 0 370.290 5.674 40 10 FKCBRN Clc1cccc(Cl)c1[C@@H]1Nc2c3ccccc3ccc2[C@@H]2C=CC[C@@H]21 ZINC000226894354 571278599 /nfs/dbraw/zinc/27/85/99/571278599.db2.gz GWNNGYPJYDQWST-ZMPRRUGASA-N 0 0 366.291 6.973 40 10 FKCBRN Clc1cccc2c1N[C@@H](c1c(Cl)cccc1Cl)[C@H]1CC=C[C@@H]21 ZINC000226895196 571278573 /nfs/dbraw/zinc/27/85/73/571278573.db2.gz CHLIPMXGETVJLM-KWFDTGPKSA-N 0 0 350.676 6.473 40 10 FKCBRN COc1ccccc1[C@@H]1Nc2ccc(Oc3ccccc3)cc2[C@@H]2C=CC[C@@H]21 ZINC000226896654 571278610 /nfs/dbraw/zinc/27/86/10/571278610.db2.gz MWOUANRCWMWCIC-OHUGHZGNSA-N 0 0 369.464 6.314 40 10 FKCBRN COc1ccccc1[C@@H]1Nc2ccc(Br)cc2[C@@H]2C=CC[C@@H]21 ZINC000226899848 571278613 /nfs/dbraw/zinc/27/86/13/571278613.db2.gz IQJAWMNDCCIEFL-BIENJYKASA-N 0 0 356.263 5.284 40 10 FKCBRN COc1cccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)c1 ZINC000226907397 571278609 /nfs/dbraw/zinc/27/86/09/571278609.db2.gz HPIGMRPEKAZGKV-GJYPPUQNSA-N 0 0 356.263 5.284 40 10 FKCBRN COc1ccccc1[C@@H]1Nc2c(Br)cccc2[C@@H]2C=CC[C@@H]21 ZINC000226909564 571278561 /nfs/dbraw/zinc/27/85/61/571278561.db2.gz CZCIWHCRVQMMQK-FHSNZYRGSA-N 0 0 356.263 5.284 40 10 FKCBRN Nc1ccc(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 ZINC000227148174 570612051 /nfs/dbraw/zinc/61/20/51/570612051.db2.gz PNPIGSOTCCMEQS-PKNBQFBNSA-N 0 0 373.239 5.488 40 10 FKCBRN Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 ZINC000227148222 206124380 /nfs/dbraw/zinc/12/43/80/206124380.db2.gz KYRQFSCYRVDUCZ-JXMROGBWSA-N 0 0 373.239 5.488 40 10 FKCBRN Nc1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 ZINC000227148237 222889039 /nfs/dbraw/zinc/88/90/39/222889039.db2.gz RALJMADHTDJCKD-JXMROGBWSA-N 0 0 373.239 5.488 40 10 FKCBRN Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 ZINC000227148282 570612059 /nfs/dbraw/zinc/61/20/59/570612059.db2.gz ATOKDSICKUPMNT-JXMROGBWSA-N 0 0 373.239 5.488 40 10 FKCBRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N)cc3)o2)cc1Cl ZINC000227148293 570611799 /nfs/dbraw/zinc/61/17/99/570611799.db2.gz IYSDXONCRUWPDK-PKNBQFBNSA-N 0 0 352.821 5.143 40 10 FKCBRN Nc1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 ZINC000227148385 206123576 /nfs/dbraw/zinc/12/35/76/206123576.db2.gz IXTGQWNCAPMIEA-SOFGYWHQSA-N 0 0 373.239 5.488 40 10 FKCBRN Cc1ccc(-c2cccc(Br)c2)n1-c1ccc(N(C)C)cc1 ZINC000228909521 571278298 /nfs/dbraw/zinc/27/82/98/571278298.db2.gz ZANOXMBEMDZOIR-UHFFFAOYSA-N 0 0 355.279 5.281 40 10 FKCBRN Cc1ccc(-c2ccc(Br)cc2)n1-c1ccc(N(C)C)cc1 ZINC000228921618 571278264 /nfs/dbraw/zinc/27/82/64/571278264.db2.gz NXLZZTPFLZWHDQ-UHFFFAOYSA-N 0 0 355.279 5.281 40 10 FKCBRN Cc1ccc(-c2cccc(Br)c2)n1-c1ccc(C(C)C)cc1 ZINC000228923732 571278225 /nfs/dbraw/zinc/27/82/25/571278225.db2.gz BZWWNCUHJPUBMH-UHFFFAOYSA-N 0 0 354.291 6.339 40 10 FKCBRN Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)n1-c1ccc(N(C)C)cc1 ZINC000228929151 571278233 /nfs/dbraw/zinc/27/82/33/571278233.db2.gz JPUUCSDTOZLUOL-UHFFFAOYSA-N 0 0 355.825 5.080 40 10 FKCBRN Cc1ccc(-c2ccc(OC(F)(F)F)cc2)n1-c1ccc(N(C)C)cc1 ZINC000228977173 571278332 /nfs/dbraw/zinc/27/83/32/571278332.db2.gz JWUCOLJNUIFGQG-UHFFFAOYSA-N 0 0 360.379 5.417 40 10 FKCBRN Cc1ccc(-c2cccc(OC(F)(F)F)c2)n1-c1ccc(N(C)C)cc1 ZINC000228978005 571278355 /nfs/dbraw/zinc/27/83/55/571278355.db2.gz UZSRFQJRDLWPRP-UHFFFAOYSA-N 0 0 360.379 5.417 40 10 FKCBRN Clc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2 ZINC000245231274 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ZINC000408736441 570974486 /nfs/dbraw/zinc/97/44/86/570974486.db2.gz SYKXCMHCRBPURH-KEYYUXOJSA-N 0 0 360.682 5.929 40 10 FKCBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1C(F)(F)F)N2 ZINC000408736453 263493410 /nfs/dbraw/zinc/49/34/10/263493410.db2.gz UBXTUMQDKJVIJX-FHSNZYRGSA-N 0 0 360.335 5.440 40 10 FKCBRN CCCOc1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408736467 570974445 /nfs/dbraw/zinc/97/44/45/570974445.db2.gz UWACRROZUIPYBL-UWVAXJGDSA-N 0 0 374.311 6.609 40 10 FKCBRN CCCOc1ccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408736479 263493408 /nfs/dbraw/zinc/49/34/08/263493408.db2.gz VTKJEQHHVQPCJX-GUXCAODWSA-N 0 0 374.311 6.609 40 10 FKCBRN O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000408736480 570974533 /nfs/dbraw/zinc/97/45/33/570974533.db2.gz VVRVQSRFDFCLGN-VBHSOAQHSA-N 0 0 361.228 5.728 40 10 FKCBRN Clc1cccc2c1N[C@@H](c1ccc3c4c(cccc41)CC3)[C@H]1CC=C[C@@H]21 ZINC000408736483 570974434 /nfs/dbraw/zinc/97/44/34/570974434.db2.gz WAQKURSBMDHRDN-WLENULPWSA-N 0 0 357.884 6.418 40 10 FKCBRN Clc1ccc([C@@H]2Nc3c(Cl)cccc3[C@@H]3C=CC[C@@H]32)cc1Cl ZINC000408736488 263493403 /nfs/dbraw/zinc/49/34/03/263493403.db2.gz WJJTWNLOFZYAON-PEBVRCNWSA-N 0 0 350.676 6.473 40 10 FKCBRN Fc1ccccc1[C@@H]1Nc2ccc(Oc3ccccc3)cc2[C@@H]2C=CC[C@@H]21 ZINC000408736499 263493168 /nfs/dbraw/zinc/49/31/68/263493168.db2.gz WSDHJVOEKDWCBM-YDIMBITNSA-N 0 0 357.428 6.445 40 10 FKCBRN Cc1ccc(C)c([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)c1 ZINC000408736630 570686222 /nfs/dbraw/zinc/68/62/22/570686222.db2.gz XZUPJPDEHQEQQS-GQIGUUNPSA-N 0 0 354.291 5.892 40 10 FKCBRN Fc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC3CSC3)cc1)N2 ZINC000408736645 263493082 /nfs/dbraw/zinc/49/30/82/263493082.db2.gz YQDDBKZVLJTNDB-LQWHRVPQSA-N 0 0 353.462 5.146 40 10 FKCBRN CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000408736870 570974381 /nfs/dbraw/zinc/97/43/81/570974381.db2.gz AJSPRQHSFOZNLR-SIFCLUCFSA-N 0 0 360.284 6.219 40 10 FKCBRN COc1cccc2c1N[C@@H](c1ccc3c4c(cccc41)CC3)[C@H]1CC=C[C@@H]21 ZINC000408736903 570974545 /nfs/dbraw/zinc/97/45/45/570974545.db2.gz CLIOMVRDQZBMMB-YIGJPRQDSA-N 0 0 353.465 5.774 40 10 FKCBRN Cc1ccc2c(c1C)N[C@@H](c1ccc3c4c(cccc41)CC3)[C@H]1CC=C[C@@H]21 ZINC000408736919 263493063 /nfs/dbraw/zinc/49/30/63/263493063.db2.gz CXJRFIRHWDCGFX-BNIKKZEQSA-N 0 0 351.493 6.382 40 10 FKCBRN CCc1cccc2c1N[C@@H](c1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC=C[C@@H]21 ZINC000408736929 263492970 /nfs/dbraw/zinc/49/29/70/263492970.db2.gz DFZXWKYQNJKVAO-DKICVRJWSA-N 0 0 354.837 5.637 40 10 FKCBRN CCc1cccc2c1N[C@@H](c1ccc3c4c(cccc41)CC3)[C@H]1CC=C[C@@H]21 ZINC000408736963 263493143 /nfs/dbraw/zinc/49/31/43/263493143.db2.gz FICIUOOUCRWDFF-NDIWIEOSSA-N 0 0 351.493 6.327 40 10 FKCBRN Cc1ccc(Cl)c2c1N[C@@H](c1ccc3c4c(cccc41)CC3)[C@H]1CC=C[C@@H]21 ZINC000408736983 570974464 /nfs/dbraw/zinc/97/44/64/570974464.db2.gz FSMZAIVKMYHVFF-HHJKRLRDSA-N 0 0 371.911 6.727 40 10 FKCBRN CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3c4c(cccc41)CC3)N2 ZINC000408737070 570974364 /nfs/dbraw/zinc/97/43/64/570974364.db2.gz HKHDXACSLRKJHQ-BNIKKZEQSA-N 0 0 367.492 6.164 40 10 FKCBRN COc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc3c4c(cccc41)CC3)N2 ZINC000408737078 570686264 /nfs/dbraw/zinc/68/62/64/570686264.db2.gz HRNVTIYIUOPZPC-KNOQFWTLSA-N 0 0 353.465 5.774 40 10 FKCBRN CCOc1cccc2c1N[C@@H](c1ccc3c4c(cccc41)CC3)[C@H]1CC=C[C@@H]21 ZINC000408737097 263493923 /nfs/dbraw/zinc/49/39/23/263493923.db2.gz IMIUGUBRVIKQFW-KNOQFWTLSA-N 0 0 367.492 6.164 40 10 FKCBRN C1=C[C@H]2c3ccc4ccccc4c3N[C@@H](c3ccc4c5c(cccc53)CC4)[C@H]2C1 ZINC000408737099 570686196 /nfs/dbraw/zinc/68/61/96/570686196.db2.gz IQXRWDCDVOUISL-ZLIGTFTASA-N 0 0 373.499 6.918 40 10 FKCBRN Cc1ccc(Cl)c2c1N[C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@@H]21 ZINC000408737150 570686592 /nfs/dbraw/zinc/68/65/92/570686592.db2.gz LHXOGTYPTHSXAA-NQCMUKECSA-N 0 0 364.703 6.782 40 10 FKCBRN COc1ccc([C@@H]2Nc3c(C)c(C)ccc3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] ZINC000408737152 570974297 /nfs/dbraw/zinc/97/42/97/570974297.db2.gz LJKCNWGSZNQXLK-XFQAVAEZSA-N 0 0 350.418 5.047 40 10 FKCBRN CCc1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 ZINC000408737153 570974387 /nfs/dbraw/zinc/97/43/87/570974387.db2.gz LKWNPQZPQIIGMQ-QRFRQXIXSA-N 0 0 354.291 5.838 40 10 FKCBRN COc1ccc([C@@H]2Nc3cc(C)cc(C)c3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] ZINC000408737159 263494192 /nfs/dbraw/zinc/49/41/92/263494192.db2.gz LZLBGOOHYORYFL-XFQAVAEZSA-N 0 0 350.418 5.047 40 10 FKCBRN Cc1cc(C)c2c(c1)N[C@@H](c1ccc3c4c(cccc41)CC3)[C@H]1CC=C[C@@H]21 ZINC000408737398 570686733 /nfs/dbraw/zinc/68/67/33/570686733.db2.gz OVDHDXZEVZUPQJ-BNIKKZEQSA-N 0 0 351.493 6.382 40 10 FKCBRN O=C(Oc1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1)c1ccccc1 ZINC000408737401 570686575 /nfs/dbraw/zinc/68/65/75/570686575.db2.gz OZMOHKQQBDGYGQ-SSPYTLHUSA-N 0 0 367.448 5.732 40 10 FKCBRN CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Br)c1)N2 ZINC000408737425 570974591 /nfs/dbraw/zinc/97/45/91/570974591.db2.gz QDLIGWZTZKOHST-UWVAXJGDSA-N 0 0 370.290 5.674 40 10 FKCBRN Cc1ccc(Cl)c2c1N[C@@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21 ZINC000408737480 570974803 /nfs/dbraw/zinc/97/48/03/570974803.db2.gz RQGNFYXNKKCWOY-VCBZYWHSSA-N 0 0 374.709 6.237 40 10 FKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C=C2c2ccccc2)cc1 ZINC000408737539 570975045 /nfs/dbraw/zinc/97/50/45/570975045.db2.gz CVUHLSKFYFXRAY-HMMYKYKNSA-N 0 0 371.867 6.120 40 10 FKCBRN Cc1cc(C)c2c(c1)N[C@@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21 ZINC000408737847 570975296 /nfs/dbraw/zinc/97/52/96/570975296.db2.gz YJARODVGADOPKX-UWVAXJGDSA-N 0 0 354.291 5.892 40 10 FKCBRN Cc1ccccc1N1C(=O)/C(=C/c2ccc(Cl)cc2)C=C1c1ccccc1 ZINC000408738019 263494155 /nfs/dbraw/zinc/49/41/55/263494155.db2.gz LVEQLLYBYBQCBE-HMMYKYKNSA-N 0 0 371.867 6.120 40 10 FKCBRN Cc1cccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C=C2c2ccccc2)c1 ZINC000408738285 570975657 /nfs/dbraw/zinc/97/56/57/570975657.db2.gz UDOPMHXCXJSSRD-HMMYKYKNSA-N 0 0 371.867 6.120 40 10 FKCBRN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408738307 570975799 /nfs/dbraw/zinc/97/57/99/570975799.db2.gz JWTIQGORLUZERD-LTGZKZEYSA-N 0 0 367.448 5.475 40 10 FKCBRN O=C1/C(=C/c2ccc(Cl)cc2)C=C(c2ccccc2)N1c1cccc(O)c1 ZINC000408738368 570684743 /nfs/dbraw/zinc/68/47/43/570684743.db2.gz WAQOQHZGJVFIDW-QGOAFFKASA-N 0 0 373.839 5.517 40 10 FKCBRN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(C)c3)C2=O)cc1 ZINC000408738942 570976578 /nfs/dbraw/zinc/97/65/78/570976578.db2.gz QIVATQREGOBDIT-LTGZKZEYSA-N 0 0 367.448 5.475 40 10 FKCBRN COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3C)C2=O)cc1 ZINC000408739566 263493982 /nfs/dbraw/zinc/49/39/82/263493982.db2.gz XSCKLYYUXPIGGL-LTGZKZEYSA-N 0 0 367.448 5.475 40 10 FKCBRN CCN(CC)c1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1 ZINC000408740394 570976533 /nfs/dbraw/zinc/97/65/33/570976533.db2.gz BOPRMNJNQMBPMU-GHRIWEEISA-N 0 0 353.849 5.168 40 10 FKCBRN O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1cccc(Br)c1 ZINC000408740569 263495070 /nfs/dbraw/zinc/49/50/70/263495070.db2.gz CEPWONLJLZRBDV-MDWZMJQESA-N 0 0 361.622 5.084 40 10 FKCBRN COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)c2ccccc12 ZINC000408740578 570976662 /nfs/dbraw/zinc/97/66/62/570976662.db2.gz CGCDERXYQWXIRU-FOWTUZBSSA-N 0 0 362.812 5.483 40 10 FKCBRN CCOc1ccc2ccccc2c1/C=C1\C=C(c2ccc(C)cc2)OC1=O ZINC000408740663 263495269 /nfs/dbraw/zinc/49/52/69/263495269.db2.gz CYRSKIAPLYCBEI-XMHGGMMESA-N 0 0 356.421 5.528 40 10 FKCBRN COc1ccc(C2=C/C(=C\c3cc(C(C)C)c(OC)cc3C)C(=O)O2)cc1 ZINC000408740950 570977040 /nfs/dbraw/zinc/97/70/40/570977040.db2.gz FLTVGBBXCTXPAU-WOJGMQOQSA-N 0 0 364.441 5.117 40 10 FKCBRN CCOc1ccc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)c2ccccc12 ZINC000408741095 570977035 /nfs/dbraw/zinc/97/70/35/570977035.db2.gz GQTJMJLLTCGICP-XMHGGMMESA-N 0 0 356.421 5.528 40 10 FKCBRN Cc1ccc(C2=C/C(=C/c3cc(Cl)cc(Cl)c3Cl)C(=O)O2)cc1 ZINC000408741194 570977249 /nfs/dbraw/zinc/97/72/49/570977249.db2.gz HIGQYKFPBRYGIV-MLPAPPSSSA-N 0 0 365.643 5.937 40 10 FKCBRN COc1ccc2ccccc2c1/C=C1/C=C(c2ccc(Cl)cc2)OC1=O ZINC000408741756 263494983 /nfs/dbraw/zinc/49/49/83/263494983.db2.gz KXRBAUSASCZZEN-VBKFSLOCSA-N 0 0 362.812 5.483 40 10 FKCBRN CCOc1ccc(/C=C2\C=C(c3ccc(OC)cc3)OC2=O)c2ccccc12 ZINC000408741787 570977166 /nfs/dbraw/zinc/97/71/66/570977166.db2.gz LBMMEEJBVGWRNC-NBVRZTHBSA-N 0 0 372.420 5.228 40 10 FKCBRN O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000408742760 263495333 /nfs/dbraw/zinc/49/53/33/263495333.db2.gz PTGXYYWENZEHIH-KPKJPENVSA-N 0 0 351.616 5.628 40 10 FKCBRN CC(C)COc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1 ZINC000408742994 263495490 /nfs/dbraw/zinc/49/54/90/263495490.db2.gz RCYZGNUWYJCGGP-GZTJUZNOSA-N 0 0 354.833 5.356 40 10 FKCBRN COc1cc(C)c(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)cc1C(C)C ZINC000408743008 570977596 /nfs/dbraw/zinc/97/75/96/570977596.db2.gz RKABGXRPQYRUMP-LICLKQGHSA-N 0 0 368.860 5.762 40 10 FKCBRN CCOc1ccc2ccccc2c1/C=C1\C=C(c2ccc(OC)cc2)OC1=O ZINC000408744065 570979051 /nfs/dbraw/zinc/97/90/51/570979051.db2.gz WDCRKSWMOSHPDE-NBVRZTHBSA-N 0 0 372.420 5.228 40 10 FKCBRN O=C1OC(c2ccc(Cl)cc2)=C/C1=C\c1ccc(Br)cc1 ZINC000408744478 263494932 /nfs/dbraw/zinc/49/49/32/263494932.db2.gz YBZPGKFVALTJGP-UKTHLTGXSA-N 0 0 361.622 5.084 40 10 FKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1cccc(C)c1 ZINC000408751920 570980333 /nfs/dbraw/zinc/98/03/33/570980333.db2.gz AKAYZKJNLLIGGZ-HZHRSRAPSA-N 0 0 369.468 5.209 40 10 FKCBRN Cc1ccc(C2=N/C(=C/c3cccs3)C(=O)N2c2cccc(C)c2)cc1 ZINC000408752031 570980612 /nfs/dbraw/zinc/98/06/12/570980612.db2.gz BITKOSRYFPTOLM-XSFVSMFZSA-N 0 0 358.466 5.199 40 10 FKCBRN Cc1cccc(C2=N/C(=C/c3ccccc3)C(=O)N2c2cccc(C)c2)c1 ZINC000408752039 570980590 /nfs/dbraw/zinc/98/05/90/570980590.db2.gz BKRFZEYQNDOEBO-CJLVFECKSA-N 0 0 352.437 5.138 40 10 FKCBRN Cc1cccc(C2=N/C(=C/c3ccccc3F)C(=O)N2c2cccc(C)c2)c1 ZINC000408752889 570981285 /nfs/dbraw/zinc/98/12/85/570981285.db2.gz DBUMEMDLMCSKMM-PXLXIMEGSA-N 0 0 370.427 5.277 40 10 FKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccccc2Cl)cc1 ZINC000408753208 570981780 /nfs/dbraw/zinc/98/17/80/570981780.db2.gz FEYJAKWQTUAJET-RCCKNPSSSA-N 0 0 372.855 5.483 40 10 FKCBRN Cc1cccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccccc2Cl)c1 ZINC000408753572 570981730 /nfs/dbraw/zinc/98/17/30/570981730.db2.gz GMPGRSAHGUVGME-RCCKNPSSSA-N 0 0 372.855 5.483 40 10 FKCBRN O=C1/C(=C\c2cccs2)N=C(c2ccc(Cl)cc2)N1c1ccccc1 ZINC000408754800 570982502 /nfs/dbraw/zinc/98/25/02/570982502.db2.gz RYLQYXJLTRTGNV-QGOAFFKASA-N 0 0 364.857 5.236 40 10 FKCBRN Cc1ccc(C2=N/C(=C/c3cccs3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000408754978 570982496 /nfs/dbraw/zinc/98/24/96/570982496.db2.gz PJVQQOFTZWZVJA-XSFVSMFZSA-N 0 0 358.466 5.199 40 10 FKCBRN Cc1ccc(C2=N/C(=C/c3ccc(Cl)cc3)C(=O)N2c2ccccc2)cc1 ZINC000408755333 570982595 /nfs/dbraw/zinc/98/25/95/570982595.db2.gz UDHFAKZCABFUMG-RCCKNPSSSA-N 0 0 372.855 5.483 40 10 FKCBRN CCN(CC)c1ccc(/C=C2/C=C(c3ccc4cc(C)ccc4c3)OC2=O)o1 ZINC000408755906 570980868 /nfs/dbraw/zinc/98/08/68/570980868.db2.gz NTSJBJLXKDTZRH-ZHZULCJRSA-N 0 0 373.452 5.569 40 10 FKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2ccccc2F)cc1 ZINC000408756157 570984273 /nfs/dbraw/zinc/98/42/73/570984273.db2.gz UHLWSPHMNJFVLC-KGENOOAVSA-N 0 0 374.390 5.108 40 10 FKCBRN Cc1cccc(C2=N/C(=C/c3ccc(Cl)cc3)C(=O)N2c2ccccc2)c1 ZINC000408756743 570982914 /nfs/dbraw/zinc/98/29/14/570982914.db2.gz SYJJXXKPJXQSDS-RCCKNPSSSA-N 0 0 372.855 5.483 40 10 FKCBRN Cc1ccc(C2=N/C(=C/c3cccs3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000408756762 570982990 /nfs/dbraw/zinc/98/29/90/570982990.db2.gz XDLJDMLUCJUPEV-CPNJWEJPSA-N 0 0 362.429 5.030 40 10 FKCBRN Cc1ccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1 ZINC000408757443 570983075 /nfs/dbraw/zinc/98/30/75/570983075.db2.gz ZZUMARUWAVMKBR-KGENOOAVSA-N 0 0 374.390 5.108 40 10 FKCBRN Cc1cccc(N2C(=O)/C(=C\c3cccs3)N=C2c2ccccc2F)c1 ZINC000408757658 570982995 /nfs/dbraw/zinc/98/29/95/570982995.db2.gz BIGAXICBAZPQIK-CPNJWEJPSA-N 0 0 362.429 5.030 40 10 FKCBRN Cc1cccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)N2c2cccc(C)c2)c1 ZINC000408758017 571090473 /nfs/dbraw/zinc/09/04/73/571090473.db2.gz FRNHJKFKLUYZAI-PXLXIMEGSA-N 0 0 370.427 5.277 40 10 FKCBRN Cc1cccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2ccccc2F)c1 ZINC000408759481 570985607 /nfs/dbraw/zinc/98/56/07/570985607.db2.gz FVMQKPRBZKEOLA-KGENOOAVSA-N 0 0 374.390 5.108 40 10 FKCBRN Cc1cccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccc(Cl)cc2)c1 ZINC000408759529 570619248 /nfs/dbraw/zinc/61/92/48/570619248.db2.gz GORJFILFXRTYTI-RCCKNPSSSA-N 0 0 372.855 5.483 40 10 FKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2cccc(C)c2)cc1 ZINC000408760411 570620107 /nfs/dbraw/zinc/62/01/07/570620107.db2.gz YERHBNNJMZRXEV-CJLVFECKSA-N 0 0 352.437 5.138 40 10 FKCBRN Cc1cccc(N2C(=O)/C(=C\c3ccco3)N=C2c2ccc(Cl)cc2)c1 ZINC000408760867 570620644 /nfs/dbraw/zinc/62/06/44/570620644.db2.gz GOJKSHHVYVFMIM-CPNJWEJPSA-N 0 0 362.816 5.076 40 10 FKCBRN O=C1/C(=C\c2ccccc2)N=C(c2ccc(Cl)cc2)N1c1ccccc1 ZINC000408761388 570984979 /nfs/dbraw/zinc/98/49/79/570984979.db2.gz JODKYOCTRDJLIP-HMMYKYKNSA-N 0 0 358.828 5.175 40 10 FKCBRN Cc1cccc(N2C(=O)/C(=C\c3ccco3)N=C2c2ccccc2Cl)c1 ZINC000408761551 570620750 /nfs/dbraw/zinc/62/07/50/570620750.db2.gz FZQWXYWYRYQMLL-CPNJWEJPSA-N 0 0 362.816 5.076 40 10 FKCBRN Cc1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)N=C2c2ccccc2)c1 ZINC000408761568 570620733 /nfs/dbraw/zinc/62/07/33/570620733.db2.gz GDBJPIQAXDXWTE-RCCKNPSSSA-N 0 0 372.855 5.483 40 10 FKCBRN Cc1cccc(C2=N/C(=C/c3cccs3)C(=O)N2c2ccc(F)cc2)c1 ZINC000408761728 570620599 /nfs/dbraw/zinc/62/05/99/570620599.db2.gz GYSFUNGUMPIBRJ-CPNJWEJPSA-N 0 0 362.429 5.030 40 10 FKCBRN Cc1ccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000408761735 570620702 /nfs/dbraw/zinc/62/07/02/570620702.db2.gz LEGHQTGPSHUQNQ-PXLXIMEGSA-N 0 0 370.427 5.277 40 10 FKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2ccc(F)cc2)cc1 ZINC000408762278 570985291 /nfs/dbraw/zinc/98/52/91/570985291.db2.gz AMANPRVINMTGNO-KGENOOAVSA-N 0 0 374.390 5.108 40 10 FKCBRN Cc1cccc(C2=N/C(=C/c3ccccc3F)C(=O)N2c2ccc(F)cc2)c1 ZINC000408762491 570985197 /nfs/dbraw/zinc/98/51/97/570985197.db2.gz BPDARYYQLFADES-KGENOOAVSA-N 0 0 374.390 5.108 40 10 FKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2cccc(C)c2)cc1 ZINC000408762721 570985201 /nfs/dbraw/zinc/98/52/01/570985201.db2.gz FWGFTSFRVBSSKK-PXLXIMEGSA-N 0 0 370.427 5.277 40 10 FKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2ccccc2F)cc1 ZINC000408763319 570987007 /nfs/dbraw/zinc/98/70/07/570987007.db2.gz MROUNQJXPLLDKR-KGENOOAVSA-N 0 0 374.390 5.108 40 10 FKCBRN Cc1cccc(C2=N/C(=C/c3cccs3)C(=O)N2c2cccc(C)c2)c1 ZINC000408763672 570986463 /nfs/dbraw/zinc/98/64/63/570986463.db2.gz GKEIWWUVXOVGPY-XSFVSMFZSA-N 0 0 358.466 5.199 40 10 FKCBRN O=C1/C(=C\c2cccc3ccccc23)N=C(c2ccccc2)N1c1ccccc1 ZINC000408763849 570986478 /nfs/dbraw/zinc/98/64/78/570986478.db2.gz PFXDKDFJFCCHBG-HKOYGPOVSA-N 0 0 374.443 5.674 40 10 FKCBRN O=C1/C(=C\c2ccccc2)N=C(c2ccccc2Cl)N1c1ccccc1 ZINC000408764453 570680687 /nfs/dbraw/zinc/68/06/87/570680687.db2.gz ISOBVAXTGCLTDU-HMMYKYKNSA-N 0 0 358.828 5.175 40 10 FKCBRN Cc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2c2cccc(C)c2)cc1 ZINC000408764804 570987017 /nfs/dbraw/zinc/98/70/17/570987017.db2.gz NGXHTJJPZSONLR-XSFVSMFZSA-N 0 0 358.466 5.199 40 10 FKCBRN Cc1cccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2ccccc2F)c1 ZINC000408765024 570680658 /nfs/dbraw/zinc/68/06/58/570680658.db2.gz VXYIZFVFRKXFMH-KGENOOAVSA-N 0 0 374.390 5.108 40 10 FKCBRN Cc1ccc(C2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000408765390 570987954 /nfs/dbraw/zinc/98/79/54/570987954.db2.gz LKVILMFIWHHNHI-RCCKNPSSSA-N 0 0 372.855 5.483 40 10 FKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2ccc(F)cc2)cc1 ZINC000408765457 570988170 /nfs/dbraw/zinc/98/81/70/570988170.db2.gz WCNGMALWVDQPAH-KGENOOAVSA-N 0 0 374.390 5.108 40 10 FKCBRN Cc1cccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2ccc(F)cc2)c1 ZINC000408765776 570988720 /nfs/dbraw/zinc/98/87/20/570988720.db2.gz QGTAFQNHUWSYBF-KGENOOAVSA-N 0 0 374.390 5.108 40 10 FKCBRN Cc1ccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)N2c2cccc(C)c2)cc1 ZINC000408765912 570988733 /nfs/dbraw/zinc/98/87/33/570988733.db2.gz ROPUBJXKOKSPCN-PXLXIMEGSA-N 0 0 370.427 5.277 40 10 FKCBRN Cc1cccc(C2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(Cl)cc2)c1 ZINC000408766064 570988721 /nfs/dbraw/zinc/98/87/21/570988721.db2.gz OIHFVABKZIBXCT-RCCKNPSSSA-N 0 0 372.855 5.483 40 10 FKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2c2ccc(Cl)cc2)cc1 ZINC000408766176 570988750 /nfs/dbraw/zinc/98/87/50/570988750.db2.gz SGTQTEBCKICHAE-CPNJWEJPSA-N 0 0 362.816 5.076 40 10 FKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2ccccc2)o1 ZINC000408766196 570988759 /nfs/dbraw/zinc/98/87/59/570988759.db2.gz POCWGPPZSZMLGB-XMHGGMMESA-N 0 0 360.438 5.237 40 10 FKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2cccc(C)c2)cc1 ZINC000408766656 570988698 /nfs/dbraw/zinc/98/86/98/570988698.db2.gz WJRUTXHFSDODJO-PXLXIMEGSA-N 0 0 370.427 5.277 40 10 FKCBRN Cc1ccc(C2=N/C(=C/c3ccccc3F)C(=O)N2c2ccc(F)cc2)cc1 ZINC000408766794 570988757 /nfs/dbraw/zinc/98/87/57/570988757.db2.gz RXEDBDQRODFYHA-KGENOOAVSA-N 0 0 374.390 5.108 40 10 FKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccc(Cl)cc2)cc1 ZINC000408767095 570988693 /nfs/dbraw/zinc/98/86/93/570988693.db2.gz VOXCVKJSAJKLKE-RCCKNPSSSA-N 0 0 372.855 5.483 40 10 FKCBRN Cc1cccc(C2=N/C(=C/c3ccco3)C(=O)N2c2ccc(Cl)cc2)c1 ZINC000408767102 570988740 /nfs/dbraw/zinc/98/87/40/570988740.db2.gz VRNVWTVETIIEIL-CPNJWEJPSA-N 0 0 362.816 5.076 40 10 FKCBRN Cc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2c2ccc(F)cc2)cc1 ZINC000408767648 570988716 /nfs/dbraw/zinc/98/87/16/570988716.db2.gz ZJJUFYVZCBTMQP-CPNJWEJPSA-N 0 0 362.429 5.030 40 10 FKCBRN Cc1cc(/C=C2/SC(=O)N(C)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408773851 570991309 /nfs/dbraw/zinc/99/13/09/570991309.db2.gz JJJKHHZQBKIRDH-LDADJPATSA-N 0 0 368.502 5.058 40 10 FKCBRN CCCCc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(C)C3=O)c2C)cc1 ZINC000408813718 263497273 /nfs/dbraw/zinc/49/72/73/263497273.db2.gz OUBREOGQXJEXCQ-UYRXBGFRSA-N 0 0 368.502 5.103 40 10 FKCBRN Cc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1 ZINC000408839909 570690865 /nfs/dbraw/zinc/69/08/65/570690865.db2.gz BHNUIEBYGNEDTN-XQNSMLJCSA-N 0 0 366.464 5.446 40 10 FKCBRN Cc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(F)cc3)C2=O)cc1 ZINC000408840685 571012650 /nfs/dbraw/zinc/01/26/50/571012650.db2.gz DZFXZKPHZIFVDS-PXLXIMEGSA-N 0 0 370.427 5.277 40 10 FKCBRN Cc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(F)cc3)C2=O)cc1 ZINC000408841377 263500036 /nfs/dbraw/zinc/50/00/36/263500036.db2.gz IPECOKTXFFXKOC-KGENOOAVSA-N 0 0 374.390 5.108 40 10 FKCBRN Cc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccccc3)C2=O)cc1 ZINC000408841717 570690738 /nfs/dbraw/zinc/69/07/38/570690738.db2.gz JYXCPOWHJGTSQW-CJLVFECKSA-N 0 0 352.437 5.138 40 10 FKCBRN Cc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(F)cc3)C2=O)cc1 ZINC000408842269 570691335 /nfs/dbraw/zinc/69/13/35/570691335.db2.gz JUYXZGXYSHBTPL-PXLXIMEGSA-N 0 0 370.427 5.277 40 10 FKCBRN Cc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408843104 570690926 /nfs/dbraw/zinc/69/09/26/570690926.db2.gz QHWVCPHXYKDQEL-CJLVFECKSA-N 0 0 352.437 5.138 40 10 FKCBRN Cc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408843241 571013358 /nfs/dbraw/zinc/01/33/58/571013358.db2.gz RDBUVBPYSRTMLE-XQNSMLJCSA-N 0 0 366.464 5.446 40 10 FKCBRN Cc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3cccc(C)c3)C2=O)cc1 ZINC000408843757 263501139 /nfs/dbraw/zinc/50/11/39/263501139.db2.gz SEXNJBLTJOTFNP-XQNSMLJCSA-N 0 0 366.464 5.446 40 10 FKCBRN Cc1ccc(/C=C2/N=C(c3ccccc3)N(c3cccc(C)c3)C2=O)cc1 ZINC000408844586 571016126 /nfs/dbraw/zinc/01/61/26/571016126.db2.gz UKUMRBKZJKNCJL-CJLVFECKSA-N 0 0 352.437 5.138 40 10 FKCBRN Cc1ccc(/C=C2/N=C(c3ccccc3F)N(c3cccc(C)c3)C2=O)cc1 ZINC000408845292 570691714 /nfs/dbraw/zinc/69/17/14/570691714.db2.gz VSJPTHOPIKERMZ-PXLXIMEGSA-N 0 0 370.427 5.277 40 10 FKCBRN CCOc1cc(C)c(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1C(C)C ZINC000408845307 570691534 /nfs/dbraw/zinc/69/15/34/570691534.db2.gz LWEPMDKVOUXEFK-KGENOOAVSA-N 0 0 362.473 5.323 40 10 FKCBRN Cc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3cccc(C)c3)C2=O)cc1 ZINC000408846564 570691677 /nfs/dbraw/zinc/69/16/77/570691677.db2.gz TUECDCBAMQUYTH-PXLXIMEGSA-N 0 0 370.427 5.277 40 10 FKCBRN Cc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccccc3)C2=O)cc1 ZINC000408847291 571016527 /nfs/dbraw/zinc/01/65/27/571016527.db2.gz USYHEEVKCFZIGE-CJLVFECKSA-N 0 0 352.437 5.138 40 10 FKCBRN Cc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408848673 571018946 /nfs/dbraw/zinc/01/89/46/571018946.db2.gz XQXNEHDVPKPYRS-XQNSMLJCSA-N 0 0 366.464 5.446 40 10 FKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C(C)C)c(O)c(C(C)C)c1 ZINC000408853591 570692901 /nfs/dbraw/zinc/69/29/01/570692901.db2.gz QCLHYAIFLPQCKX-FYJGNVAPSA-N 0 0 362.473 5.445 40 10 FKCBRN CC(C)COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000408901019 570696054 /nfs/dbraw/zinc/69/60/54/570696054.db2.gz BNSKZJSZEUSMQO-LDADJPATSA-N 0 0 369.511 5.127 40 10 FKCBRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000408901220 263505931 /nfs/dbraw/zinc/50/59/31/263505931.db2.gz CEONQHHAFCOUKP-QFGUUYLXSA-N 0 0 369.511 5.270 40 10 FKCBRN CC[C@H](C)Oc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 ZINC000408901221 571045120 /nfs/dbraw/zinc/04/51/20/571045120.db2.gz CEONQHHAFCOUKP-RAOBZKRQSA-N 0 0 369.511 5.270 40 10 FKCBRN CCn1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c2ccccc21 ZINC000408901328 570696101 /nfs/dbraw/zinc/69/61/01/570696101.db2.gz DEXUPUJEPATCQZ-LDADJPATSA-N 0 0 364.495 5.067 40 10 FKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1ccccc1F ZINC000408901529 571045136 /nfs/dbraw/zinc/04/51/36/571045136.db2.gz GICHUCGTQBFIPW-XSFVSMFZSA-N 0 0 373.431 5.039 40 10 FKCBRN CCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c2ccccc12 ZINC000408902679 570697553 /nfs/dbraw/zinc/69/75/53/570697553.db2.gz PTMLRPIKSDSBKT-RCCKNPSSSA-N 0 0 356.425 5.045 40 10 FKCBRN Cc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(C)n1-c1ccccc1C ZINC000408902957 570697578 /nfs/dbraw/zinc/69/75/78/570697578.db2.gz SRJYUDRHPQJFNF-PXLXIMEGSA-N 0 0 369.468 5.209 40 10 FKCBRN CC[C@@H](C)Oc1ccccc1/C=C1/SC(=S)N(c2ccccc2)C1=O ZINC000408903561 263505255 /nfs/dbraw/zinc/50/52/55/263505255.db2.gz ZSXXGSSNUUSIEY-QFGUUYLXSA-N 0 0 369.511 5.270 40 10 FKCBRN CC[C@H](C)Oc1ccccc1/C=C1/SC(=S)N(c2ccccc2)C1=O ZINC000408903562 571046534 /nfs/dbraw/zinc/04/65/34/571046534.db2.gz ZSXXGSSNUUSIEY-RAOBZKRQSA-N 0 0 369.511 5.270 40 10 FKCBRN CC[C@H](C)n1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c2ccccc21 ZINC000408903887 570696568 /nfs/dbraw/zinc/69/65/68/570696568.db2.gz AWXQXBRJIUXUEY-YIRPMMGJSA-N 0 0 357.457 5.418 40 10 FKCBRN CC[C@@H](C)n1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c2ccccc21 ZINC000408903888 263505892 /nfs/dbraw/zinc/50/58/92/263505892.db2.gz AWXQXBRJIUXUEY-ZFMLPXDISA-N 0 0 357.457 5.418 40 10 FKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(OC(C)C)ccc2ccccc21 ZINC000408904181 570696682 /nfs/dbraw/zinc/69/66/82/570696682.db2.gz FZFKNVMPJYPCAI-RCCKNPSSSA-N 0 0 370.452 5.433 40 10 FKCBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc2[nH]c3ccccc3c2c1 ZINC000408904962 570696584 /nfs/dbraw/zinc/69/65/84/570696584.db2.gz RDKFCFPIAZIHMX-CPNJWEJPSA-N 0 0 351.409 5.127 40 10 FKCBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)N(CC)C2=O)c1C ZINC000408961442 571065544 /nfs/dbraw/zinc/06/55/44/571065544.db2.gz SVRZFAJGCHQZBF-PDGQHHTCSA-N 0 0 368.502 5.021 40 10 FKCBRN Cc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(C)n1C(C)(C)C ZINC000408961577 570703772 /nfs/dbraw/zinc/70/37/72/570703772.db2.gz NLSAIZUCZLBOMQ-SFQUDFHCSA-N 0 0 370.543 5.266 40 10 FKCBRN Cc1ccc(-c2ccc(Br)cc2)n1-c1ccc([N+](=O)[O-])cc1 ZINC000408963937 263510585 /nfs/dbraw/zinc/51/05/85/263510585.db2.gz ATCAFJPJXFIWAR-UHFFFAOYSA-N 0 0 357.207 5.123 40 10 FKCBRN CSc1ccccc1-n1c(C)ccc1-c1ccc(Br)cc1 ZINC000408964394 571067470 /nfs/dbraw/zinc/06/74/70/571067470.db2.gz CCOFMCYFONAUNG-UHFFFAOYSA-N 0 0 358.304 5.937 40 10 FKCBRN Cc1ccc(-c2ccc(Br)cc2)n1-c1ccc2ncccc2c1 ZINC000408964422 263510693 /nfs/dbraw/zinc/51/06/93/263510693.db2.gz CFWYXOBXMSXQGO-UHFFFAOYSA-N 0 0 363.258 5.763 40 10 FKCBRN Cc1ccc(-c2ccc(Br)cc2)n1-c1cc(Cl)ccc1C ZINC000408964468 263510569 /nfs/dbraw/zinc/51/05/69/263510569.db2.gz CNPMTKLYWOPNBF-UHFFFAOYSA-N 0 0 360.682 6.177 40 10 FKCBRN CCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3CC)c2C)C1=O ZINC000408964721 263511259 /nfs/dbraw/zinc/51/12/59/263511259.db2.gz DHHLJKKTAMXRTQ-UYRXBGFRSA-N 0 0 368.502 5.103 40 10 FKCBRN COC(=O)c1cccc(-n2c(C)ccc2-c2ccc(Br)cc2)c1 ZINC000408965059 571068379 /nfs/dbraw/zinc/06/83/79/571068379.db2.gz GCHRQPNUDRYIMZ-UHFFFAOYSA-N 0 0 370.246 5.002 40 10 FKCBRN Cc1ccc(-c2ccc(Br)cc2)n1-c1ccc(Cl)cc1O ZINC000408965128 571068798 /nfs/dbraw/zinc/06/87/98/571068798.db2.gz GVXGERQPSCAYRL-UHFFFAOYSA-N 0 0 362.654 5.574 40 10 FKCBRN Cc1ccc(-c2ccc(Br)cc2)n1-c1ccc(F)c(Cl)c1 ZINC000408965905 263510589 /nfs/dbraw/zinc/51/05/89/263510589.db2.gz JRVZOYIMXLFSMP-UHFFFAOYSA-N 0 0 364.645 6.008 40 10 FKCBRN CCCCc1ccc(-n2c(C)ccc2-c2ccc(Br)cc2)cc1 ZINC000408966343 570703302 /nfs/dbraw/zinc/70/33/02/570703302.db2.gz LVCLEFRJXRSENX-UHFFFAOYSA-N 0 0 368.318 6.558 40 10 FKCBRN CC[C@H](C)c1ccc(-n2c(C)ccc2-c2ccc(Br)cc2)cc1 ZINC000408966345 571073393 /nfs/dbraw/zinc/07/33/93/571073393.db2.gz LYLFVTIJOAZHOH-HNNXBMFYSA-N 0 0 368.318 6.729 40 10 FKCBRN CC[C@@H](C)c1ccc(-n2c(C)ccc2-c2ccc(Br)cc2)cc1 ZINC000408966346 570703441 /nfs/dbraw/zinc/70/34/41/570703441.db2.gz LYLFVTIJOAZHOH-OAHLLOKOSA-N 0 0 368.318 6.729 40 10 FKCBRN Cc1ccc(-c2ccc(Br)cc2)n1-c1ccc(C)c(Cl)c1 ZINC000408966347 263510449 /nfs/dbraw/zinc/51/04/49/263510449.db2.gz LYUDVKSHWRQUII-UHFFFAOYSA-N 0 0 360.682 6.177 40 10 FKCBRN CCOc1ccccc1-n1c(C)ccc1-c1ccc(Br)cc1 ZINC000408966641 571070091 /nfs/dbraw/zinc/07/00/91/571070091.db2.gz NFSUUGAITKULQO-UHFFFAOYSA-N 0 0 356.263 5.614 40 10 FKCBRN COC(=O)c1ccc(-n2c(C)ccc2-c2ccc(Br)cc2)cc1 ZINC000408966774 570704577 /nfs/dbraw/zinc/70/45/77/570704577.db2.gz NZKAQRXHMZVFIA-UHFFFAOYSA-N 0 0 370.246 5.002 40 10 FKCBRN Cc1ccc(-c2ccc(Br)cc2)n1-c1ccc2ccccc2c1 ZINC000408967099 571070541 /nfs/dbraw/zinc/07/05/41/571070541.db2.gz PUTOYCJPLMDCSH-UHFFFAOYSA-N 0 0 362.270 6.368 40 10 FKCBRN Cc1ccc(-c2ccc(Br)cc2)n1-c1cccc(Cl)c1C ZINC000408967207 571070737 /nfs/dbraw/zinc/07/07/37/571070737.db2.gz QRZVZNYVTVXDAE-UHFFFAOYSA-N 0 0 360.682 6.177 40 10 FKCBRN CC(=O)c1ccc(-n2c(C)ccc2-c2ccc(Br)cc2)cc1 ZINC000408967548 571070700 /nfs/dbraw/zinc/07/07/00/571070700.db2.gz UBFWLIMXAIVAEJ-UHFFFAOYSA-N 0 0 354.247 5.418 40 10 FKCBRN Cc1ccc(-c2ccc(Br)cc2)n1-c1ccc(C(C)(C)C)cc1 ZINC000408967767 263512405 /nfs/dbraw/zinc/51/24/05/263512405.db2.gz UQHLMDHSUBKICL-UHFFFAOYSA-N 0 0 368.318 6.513 40 10 FKCBRN CCOc1cccc(-n2c(C)ccc2-c2ccc(Br)cc2)c1 ZINC000408967798 263512010 /nfs/dbraw/zinc/51/20/10/263512010.db2.gz UZDMRSDKKFHHHO-UHFFFAOYSA-N 0 0 356.263 5.614 40 10 FKCBRN Cc1ccc(-c2ccc(Br)cc2)n1-c1cccc2ccccc21 ZINC000408967983 570705104 /nfs/dbraw/zinc/70/51/04/570705104.db2.gz WFIOJTRJFGGASK-UHFFFAOYSA-N 0 0 362.270 6.368 40 10 FKCBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(C(C)C)C2=O)c1C ZINC000408968178 571071013 /nfs/dbraw/zinc/07/10/13/571071013.db2.gz UPBVTVQVHLEYSH-UNOMPAQXSA-N 0 0 368.502 5.101 40 10 FKCBRN O=C1/C(=C\c2cccc3ccccc23)C(C(F)(F)F)=NN1c1ccccc1 ZINC000408968601 570705116 /nfs/dbraw/zinc/70/51/16/570705116.db2.gz AFOFISTWCFSCKQ-AQTBWJFISA-N 0 0 366.342 5.188 40 10 FKCBRN CC(C)c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1 ZINC000408972694 571084418 /nfs/dbraw/zinc/08/44/18/571084418.db2.gz QRKSHIBKGFTFMF-ATVHPVEESA-N 0 0 358.363 5.159 40 10 FKCBRN CCCCCCC(=O)Nc1ccc2nc3ccc4ccccc4c3nc2c1 ZINC000408973903 263512386 /nfs/dbraw/zinc/51/23/86/263512386.db2.gz CJDCFTYENHOJRJ-UHFFFAOYSA-N 0 0 357.457 5.845 40 10 FKCBRN Cc1ccc(C(=O)Oc2ccc3nc4ccc5ccccc5c4nc3c2)cc1 ZINC000408974186 570705503 /nfs/dbraw/zinc/70/55/03/570705503.db2.gz DDDXUJQWEADUGX-UHFFFAOYSA-N 0 0 364.404 5.464 40 10 FKCBRN O=C(Oc1ccc2nc3ccc4ccccc4c3nc2c1)c1ccccc1 ZINC000408974609 263513356 /nfs/dbraw/zinc/51/33/56/263513356.db2.gz FMLJNLGLARBXKX-UHFFFAOYSA-N 0 0 350.377 5.155 40 10 FKCBRN O=C(Cc1ccccc1)Nc1ccc2nc3ccc4ccccc4c3nc2c1 ZINC000408974785 263512774 /nfs/dbraw/zinc/51/27/74/263512774.db2.gz GZBJPDDZMUCHCR-UHFFFAOYSA-N 0 0 363.420 5.117 40 10 FKCBRN Cc1ccc(C(=O)Nc2ccc3nc4ccc5ccccc5c4nc3c2)cc1 ZINC000408975315 570706235 /nfs/dbraw/zinc/70/62/35/570706235.db2.gz MBUBMNRCBWLIGR-UHFFFAOYSA-N 0 0 363.420 5.497 40 10 FKCBRN CCN(CC)c1ccc(/C=C2/C=C(c3ccc(C(C)C)cc3)OC2=O)cc1 ZINC000408975483 571085814 /nfs/dbraw/zinc/08/58/14/571085814.db2.gz MEQDKZXLKCHUJV-QNGOZBTKSA-N 0 0 361.485 5.638 40 10 FKCBRN CCCCCCC(=O)Oc1ccc2nc3ccc4ccccc4c3nc2c1 ZINC000408975811 263513205 /nfs/dbraw/zinc/51/32/05/263513205.db2.gz NVGDLSCQYSYQNY-UHFFFAOYSA-N 0 0 358.441 5.812 40 10 FKCBRN CC1=NN(Cc2ccccc2Cl)C(=O)/C1=C\c1cccc2ccccc12 ZINC000408976411 263513005 /nfs/dbraw/zinc/51/30/05/263513005.db2.gz QWZZLWLDZSFROM-MOSHPQCFSA-N 0 0 360.844 5.295 40 10 FKCBRN O=C(Cc1ccccc1)Oc1ccc2nc3ccc4ccccc4c3nc2c1 ZINC000408977507 570707047 /nfs/dbraw/zinc/70/70/47/570707047.db2.gz VYTQHERQUPGYTC-UHFFFAOYSA-N 0 0 364.404 5.084 40 10 FKCBRN O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1ccccc1 ZINC000408983830 571102174 /nfs/dbraw/zinc/10/21/74/571102174.db2.gz DGTTWUDYDPKPGP-XDJHFCHBSA-N 0 0 357.840 5.811 40 10 FKCBRN O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1ccccc1O ZINC000408984209 571106212 /nfs/dbraw/zinc/10/62/12/571106212.db2.gz FSHBPTQMXYLRTI-NBVRZTHBSA-N 0 0 373.839 5.517 40 10 FKCBRN O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1C1CCCCC1 ZINC000408984254 263514599 /nfs/dbraw/zinc/51/45/99/263514599.db2.gz GCBYEDUNZDUIEW-XDJHFCHBSA-N 0 0 363.888 5.939 40 10 FKCBRN Cc1ccccc1N1C(=O)/C(=C/c2ccccc2)C=C1c1ccc(Cl)cc1 ZINC000408984342 571106165 /nfs/dbraw/zinc/10/61/65/571106165.db2.gz GZBUWNVZAVPUPE-HMMYKYKNSA-N 0 0 371.867 6.120 40 10 FKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccco3)C2=O)cc1 ZINC000408984360 263514768 /nfs/dbraw/zinc/51/47/68/263514768.db2.gz HJNLFVJBDVQZGH-XDJHFCHBSA-N 0 0 357.409 5.150 40 10 FKCBRN O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1cccnc1 ZINC000408984493 263514810 /nfs/dbraw/zinc/51/48/10/263514810.db2.gz HRMPMHLSOZVFQO-QGOAFFKASA-N 0 0 358.828 5.206 40 10 FKCBRN O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1ccc(O)cc1 ZINC000408985419 571106639 /nfs/dbraw/zinc/10/66/39/571106639.db2.gz LVYJTEKVMPWOQI-NBVRZTHBSA-N 0 0 373.839 5.517 40 10 FKCBRN Cc1ccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)cc1 ZINC000408985510 571106511 /nfs/dbraw/zinc/10/65/11/571106511.db2.gz MOHQTVRTZJFFIZ-HMMYKYKNSA-N 0 0 371.867 6.120 40 10 FKCBRN CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000408986591 570707985 /nfs/dbraw/zinc/70/79/85/570707985.db2.gz QWQHPLLPRGHZGO-HEHNFIMWSA-N 0 0 367.448 5.557 40 10 FKCBRN Cc1cccc(N2C(=O)/C(=C/c3ccccc3)C=C2c2ccc(Cl)cc2)c1 ZINC000408987391 571106861 /nfs/dbraw/zinc/10/68/61/571106861.db2.gz XGDIPIUFICTJOP-HMMYKYKNSA-N 0 0 371.867 6.120 40 10 FKCBRN O=C1/C(=C/c2ccccc2)C=C(c2ccc(Cl)cc2)N1c1cccc(O)c1 ZINC000408987857 263513959 /nfs/dbraw/zinc/51/39/59/263513959.db2.gz ZIJFTUSFSCZCKG-QGOAFFKASA-N 0 0 373.839 5.517 40 10 FKCBRN O=C1/C(=C\c2cccs2)N=C(c2ccccc2)N1c1ccc(Cl)cc1 ZINC000408993498 570709507 /nfs/dbraw/zinc/70/95/07/570709507.db2.gz DNNTURWOJVWKKV-QGOAFFKASA-N 0 0 364.857 5.236 40 10 FKCBRN Cc1ccc(C2=N/C(=C/c3ccco3)C(=O)N2c2ccc(Cl)cc2)cc1 ZINC000408997584 571110763 /nfs/dbraw/zinc/11/07/63/571110763.db2.gz RWWGUSJTXGCGNV-CPNJWEJPSA-N 0 0 362.816 5.076 40 10 FKCBRN CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3C)c2C)C1=O ZINC000409009735 570712149 /nfs/dbraw/zinc/71/21/49/570712149.db2.gz HVIWTKISWJJHGJ-BXUJETTOSA-N 0 0 368.502 5.237 40 10 FKCBRN CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3C)c2C)C1=O ZINC000409009737 570712205 /nfs/dbraw/zinc/71/22/05/570712205.db2.gz HVIWTKISWJJHGJ-ONDHQXCVSA-N 0 0 368.502 5.237 40 10 FKCBRN CC[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O ZINC000409015581 570713508 /nfs/dbraw/zinc/71/35/08/570713508.db2.gz RORRGARJEBHUIL-VCRXTVNUSA-N 0 0 368.502 5.237 40 10 FKCBRN CC[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O ZINC000409015584 571111846 /nfs/dbraw/zinc/11/18/46/571111846.db2.gz RORRGARJEBHUIL-YQNUULROSA-N 0 0 368.502 5.237 40 10 FKCBRN CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3F)c2C)C1=O ZINC000409016802 571111860 /nfs/dbraw/zinc/11/18/60/571111860.db2.gz VUZBGXFBWBSZSJ-HWQJWEFDSA-N 0 0 372.465 5.068 40 10 FKCBRN CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3F)c2C)C1=O ZINC000409016805 571111762 /nfs/dbraw/zinc/11/17/62/571111762.db2.gz VUZBGXFBWBSZSJ-MBNTZHJCSA-N 0 0 372.465 5.068 40 10 FKCBRN CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)C1=O ZINC000409017878 570713091 /nfs/dbraw/zinc/71/30/91/570713091.db2.gz GHNPQNFDQCKTPH-HWQJWEFDSA-N 0 0 372.465 5.068 40 10 FKCBRN CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)C1=O ZINC000409017880 570713111 /nfs/dbraw/zinc/71/31/11/570713111.db2.gz GHNPQNFDQCKTPH-MBNTZHJCSA-N 0 0 372.465 5.068 40 10 FKCBRN Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000409018563 571112190 /nfs/dbraw/zinc/11/21/90/571112190.db2.gz MXPJLBSNBIDDQA-YBFXNURJSA-N 0 0 368.502 5.156 40 10 FKCBRN CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(F)c3)c2C)C1=O ZINC000409018666 570713109 /nfs/dbraw/zinc/71/31/09/570713109.db2.gz HZPNLZKNNUSYER-NNLQFVHNSA-N 0 0 372.465 5.068 40 10 FKCBRN CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cccc(F)c3)c2C)C1=O ZINC000409018668 570712991 /nfs/dbraw/zinc/71/29/91/570712991.db2.gz HZPNLZKNNUSYER-SGEFVQMOSA-N 0 0 372.465 5.068 40 10 FKCBRN Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1-c1c(C)cccc1C ZINC000409022000 571112251 /nfs/dbraw/zinc/11/22/51/571112251.db2.gz BVCCMTRZISNYJC-WOJGMQOQSA-N 0 0 368.502 5.156 40 10 FKCBRN Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1-c1cc(C)ccc1C ZINC000409022049 570713870 /nfs/dbraw/zinc/71/38/70/570713870.db2.gz CYYJLZZJPRAHQL-YBFXNURJSA-N 0 0 368.502 5.156 40 10 FKCBRN Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000409022197 570713967 /nfs/dbraw/zinc/71/39/67/570713967.db2.gz IQFQHVJIZSLHIE-YBFXNURJSA-N 0 0 368.502 5.156 40 10 FKCBRN CCOc1ccc2ccccc2c1/C=C1\SC(=S)N(CC(C)C)C1=O ZINC000409030825 571113764 /nfs/dbraw/zinc/11/37/64/571113764.db2.gz FQZYJLLFIPIPOT-WQRHYEAKSA-N 0 0 371.527 5.096 40 10 FKCBRN COc1cccc(/C=C2\C=C(c3ccc(-c4ccccc4)cc3)OC2=O)c1O ZINC000409051032 263520777 /nfs/dbraw/zinc/52/07/77/263520777.db2.gz HAUAFESLBMIWFI-XSFVSMFZSA-N 0 0 370.404 5.049 40 10 FKCBRN O=C1OC(c2ccc(Oc3ccccc3)cc2)=C/C1=C\c1ccc(F)cc1 ZINC000409051058 570716873 /nfs/dbraw/zinc/71/68/73/570716873.db2.gz HSNXTIAGMSLCHW-NBVRZTHBSA-N 0 0 358.368 5.599 40 10 FKCBRN Cc1ccc(C2=C/C(=C\c3ccc(Br)cc3)C(=O)O2)c(C)c1 ZINC000409051237 571125049 /nfs/dbraw/zinc/12/50/49/571125049.db2.gz APUVWBIRCWTDHS-XNTDXEJSSA-N 0 0 355.231 5.047 40 10 FKCBRN Cc1ccsc1/C=C1\C=C(c2ccc(Oc3ccccc3)cc2)OC1=O ZINC000409051257 571125041 /nfs/dbraw/zinc/12/50/41/571125041.db2.gz JTTZYOJKGKRJJD-SAPNQHFASA-N 0 0 360.434 5.830 40 10 FKCBRN CSc1ccc(/C=C2\C=C(c3ccc(-c4ccccc4)cc3)OC2=O)cc1 ZINC000409051916 571125043 /nfs/dbraw/zinc/12/50/43/571125043.db2.gz DEALPDRJEFYMST-RCCKNPSSSA-N 0 0 370.473 6.057 40 10 FKCBRN O=C1OC(c2ccc(Oc3ccccc3)cc2)=C/C1=C\c1cccc(Cl)c1 ZINC000409052229 570716808 /nfs/dbraw/zinc/71/68/08/570716808.db2.gz GUGZUPPDBXVOLP-QGOAFFKASA-N 0 0 374.823 6.114 40 10 FKCBRN Cc1ccc(C2=C/C(=C\c3cccc(Br)c3)C(=O)O2)cc1C ZINC000409052458 571125067 /nfs/dbraw/zinc/12/50/67/571125067.db2.gz HQWNWHDSPKIFRA-CXUHLZMHSA-N 0 0 355.231 5.047 40 10 FKCBRN COc1ccccc1/C=C1\C=C(c2ccc(-c3ccccc3)cc2)OC1=O ZINC000409052550 263520003 /nfs/dbraw/zinc/52/00/03/263520003.db2.gz UVCURCJOHHGWRL-RCCKNPSSSA-N 0 0 354.405 5.344 40 10 FKCBRN O=C1OC(c2ccc(F)cc2)=C/C1=C\c1c2ccccc2cc2ccccc12 ZINC000409053144 571125064 /nfs/dbraw/zinc/12/50/64/571125064.db2.gz LHUIEDCRSQPIGD-XMHGGMMESA-N 0 0 366.391 6.113 40 10 FKCBRN O=C1OC(c2ccc(-c3ccccc3)cc2)=C/C1=C\c1ccccc1Cl ZINC000409053238 571125079 /nfs/dbraw/zinc/12/50/79/571125079.db2.gz NIDBGUFVFGOGLY-XSFVSMFZSA-N 0 0 358.824 5.988 40 10 FKCBRN Cc1ccc(C)c(C2=C/C(=C\c3ccc(Br)cc3)C(=O)O2)c1 ZINC000409053313 570716360 /nfs/dbraw/zinc/71/63/60/570716360.db2.gz OHPWLDDJLFCQKK-XNTDXEJSSA-N 0 0 355.231 5.047 40 10 FKCBRN O=C1OC(c2ccc(Oc3ccccc3)cc2)=C/C1=C\c1ccc(O)cc1 ZINC000409053326 570716298 /nfs/dbraw/zinc/71/62/98/570716298.db2.gz OMAXXMOFZSCJML-NBVRZTHBSA-N 0 0 356.377 5.166 40 10 FKCBRN O=C1OC(c2cccs2)=C/C1=C\c1ccc(OCc2ccccc2)cc1 ZINC000409053755 263520332 /nfs/dbraw/zinc/52/03/32/263520332.db2.gz PAQMFDOJRPJFOP-QGOAFFKASA-N 0 0 360.434 5.308 40 10 FKCBRN Cc1ccc(/C=C2\C=C(c3ccc(Oc4ccccc4)cc3)OC2=O)s1 ZINC000409053862 571125061 /nfs/dbraw/zinc/12/50/61/571125061.db2.gz RDEHRAGUSLGTFQ-GHRIWEEISA-N 0 0 360.434 5.830 40 10 FKCBRN O=C1OC(c2ccc(-c3ccccc3)cc2)=C/C1=C\c1cccc(Cl)c1 ZINC000409054164 570717692 /nfs/dbraw/zinc/71/76/92/570717692.db2.gz SEFSTUODHMEUFJ-DEDYPNTBSA-N 0 0 358.824 5.988 40 10 FKCBRN Cc1ccc(/C=C2\C=C(c3ccc(Oc4ccccc4)cc3)OC2=O)cc1 ZINC000409054203 570717643 /nfs/dbraw/zinc/71/76/43/570717643.db2.gz SLVPBYLTLNLKSZ-HMMYKYKNSA-N 0 0 354.405 5.769 40 10 FKCBRN O=C1OC(c2ccc(Oc3ccccc3)cc2)=C/C1=C\c1ccccc1O ZINC000409054281 571125090 /nfs/dbraw/zinc/12/50/90/571125090.db2.gz UEACRERKJNYSDA-NBVRZTHBSA-N 0 0 356.377 5.166 40 10 FKCBRN COc1ccc2ccccc2c1/C=C1\C=C(c2ccc(C)cc2C)OC1=O ZINC000409054337 570717670 /nfs/dbraw/zinc/71/76/70/570717670.db2.gz VAKVFCULBGGMAM-QGOAFFKASA-N 0 0 356.421 5.447 40 10 FKCBRN COc1ccc2ccccc2c1/C=C1\C=C(c2ccc(C)c(C)c2)OC1=O ZINC000409054788 571125073 /nfs/dbraw/zinc/12/50/73/571125073.db2.gz VICGJFXLOKPTHN-CPNJWEJPSA-N 0 0 356.421 5.447 40 10 FKCBRN Cc1ccc(C2=C/C(=C\c3cccc(Br)c3)C(=O)O2)c(C)c1 ZINC000409054847 570717702 /nfs/dbraw/zinc/71/77/02/570717702.db2.gz VWZVPZYOBUANHU-OQLLNIDSSA-N 0 0 355.231 5.047 40 10 FKCBRN Cc1ccc(C2=C/C(=C\c3ccc(Br)cc3)C(=O)O2)cc1C ZINC000409055439 263521602 /nfs/dbraw/zinc/52/16/02/263521602.db2.gz YMIHRHRSMBJEJM-MHWRWJLKSA-N 0 0 355.231 5.047 40 10 FKCBRN O=C1OC(c2cccs2)=C/C1=C\c1c2ccccc2cc2ccccc21 ZINC000409055537 571125341 /nfs/dbraw/zinc/12/53/41/571125341.db2.gz ZHOZCJOBHBNVLL-GHRIWEEISA-N 0 0 354.430 6.036 40 10 FKCBRN Cc1ccc(C)c(C2=C/C(=C\c3cccc(Br)c3)C(=O)O2)c1 ZINC000409055606 263521518 /nfs/dbraw/zinc/52/15/18/263521518.db2.gz ZXTZAONOAMLLHQ-OQLLNIDSSA-N 0 0 355.231 5.047 40 10 FKCBRN O=C1OC(c2ccc(Oc3ccccc3)cc2)=C/C1=C\c1ccccc1Cl ZINC000409058563 571124773 /nfs/dbraw/zinc/12/47/73/571124773.db2.gz YUOPPJGAGPLZNK-NBVRZTHBSA-N 0 0 374.823 6.114 40 10 FKCBRN CCN1C(=O)S/C(=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)C1=O ZINC000409069080 570718476 /nfs/dbraw/zinc/71/84/76/570718476.db2.gz BYOVUNLSSVGRIB-RQZCQDPDSA-N 0 0 374.893 5.112 40 10 FKCBRN CCN1C(=O)S/C(=C/c2cc(C)n(-c3c(C)cc(C)cc3C)c2C)C1=O ZINC000409072444 571130242 /nfs/dbraw/zinc/13/02/42/571130242.db2.gz SANCZHMZJRDNAM-WOJGMQOQSA-N 0 0 368.502 5.076 40 10 FKCBRN CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C1=O ZINC000409075672 570718983 /nfs/dbraw/zinc/71/89/83/570718983.db2.gz TUTUWDJXJSIHIK-XDHOZWIPSA-N 0 0 368.502 5.274 40 10 FKCBRN Cc1cc(/C=C2/Sc3ccccc3NC2=O)c(C)n1-c1cccc(C)c1 ZINC000409095427 570721143 /nfs/dbraw/zinc/72/11/43/570721143.db2.gz HOYJXSHCBUUINV-FYJGNVAPSA-N 0 0 360.482 5.488 40 10 FKCBRN Cc1cc(/C=C2\Sc3ccccc3NC2=O)c(C)n1-c1ccc(C)cc1 ZINC000409095861 570723077 /nfs/dbraw/zinc/72/30/77/570723077.db2.gz DQQDICYHIVQWKF-BKUYFWCQSA-N 0 0 360.482 5.488 40 10 FKCBRN Cc1cc(/C=C2\Sc3ccccc3NC2=O)c(C)n1-c1ccc(F)cc1 ZINC000409096288 571133986 /nfs/dbraw/zinc/13/39/86/571133986.db2.gz JZPGTMWDNLQUHF-NDENLUEZSA-N 0 0 364.445 5.319 40 10 FKCBRN Cc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)ccc1N1CCCC1 ZINC000409097299 571134004 /nfs/dbraw/zinc/13/40/04/571134004.db2.gz IDBBUDZQJBJWPQ-BOPFTXTBSA-N 0 0 372.390 5.107 40 10 FKCBRN Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)Nc2cc(C(F)(F)F)ccc21 ZINC000409099886 570724112 /nfs/dbraw/zinc/72/41/12/570724112.db2.gz MORGIYJZKMMABQ-WQRHYEAKSA-N 0 0 372.390 5.107 40 10 FKCBRN CCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)C1=O ZINC000409102246 570724389 /nfs/dbraw/zinc/72/43/89/570724389.db2.gz YAOMJIAKBCKCME-LICLKQGHSA-N 0 0 374.893 5.112 40 10 FKCBRN CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)c2ccccc21 ZINC000409109347 571134835 /nfs/dbraw/zinc/13/48/35/571134835.db2.gz BZOMRQGNJZNEKG-KQWNVCNZSA-N 0 0 370.496 5.700 40 10 FKCBRN Cc1cc(N2CCCC2)ccc1/C=C1/c2ccccc2N(CC(C)C)C1=O ZINC000409112301 570725550 /nfs/dbraw/zinc/72/55/50/570725550.db2.gz FSVKQFYEQDTXFM-JCMHNJIXSA-N 0 0 360.501 5.138 40 10 FKCBRN Cc1cc(/C=C2/c3ccccc3N(CC(C)C)C2=O)c(C)n1-c1cccnc1 ZINC000409113503 571135644 /nfs/dbraw/zinc/13/56/44/571135644.db2.gz BGZAYDWSCXTLSN-XKZIYDEJSA-N 0 0 371.484 5.032 40 10 FKCBRN Cc1cc(/C=C2\Sc3ccccc3NC2=O)c(C)n1-c1c(C)cccc1C ZINC000409119859 571138010 /nfs/dbraw/zinc/13/80/10/571138010.db2.gz UDNOTEHTZWIBFR-BKUYFWCQSA-N 0 0 374.509 5.796 40 10 FKCBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)c2ccccc21 ZINC000409120938 263529485 /nfs/dbraw/zinc/52/94/85/263529485.db2.gz WYARUHUIYNNGHW-JCMHNJIXSA-N 0 0 356.469 5.310 40 10 FKCBRN Cc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)n1C1CCCC1 ZINC000409122711 571139322 /nfs/dbraw/zinc/13/93/22/571139322.db2.gz BCXLJFCINKARMF-YVLHZVERSA-N 0 0 362.564 5.077 40 10 FKCBRN Cc1cc(/C=C2\SC(=S)N(CCC3CCCC3)C2=O)c(C)n1C1CC1 ZINC000409130201 570730151 /nfs/dbraw/zinc/73/01/51/570730151.db2.gz MBNXJHWGOPDOMS-PDGQHHTCSA-N 0 0 374.575 5.221 40 10 FKCBRN CCN(CC)c1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1 ZINC000409131233 263531930 /nfs/dbraw/zinc/53/19/30/263531930.db2.gz NTRLLJNFDBIZPW-XMHGGMMESA-N 0 0 372.534 5.149 40 10 FKCBRN Cc1cc(/C=C2/c3ccccc3N(CC(C)C)C2=O)ccc1N1CCCC1 ZINC000409137371 263532341 /nfs/dbraw/zinc/53/23/41/263532341.db2.gz WSTOAVZKXWATEP-QNGOZBTKSA-N 0 0 360.501 5.138 40 10 FKCBRN CC(C)Cn1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)c2ccccc21 ZINC000409148009 571159188 /nfs/dbraw/zinc/15/91/88/571159188.db2.gz ODSDBTXEBFFSFY-NVMNQCDNSA-N 0 0 372.559 5.155 40 10 FKCBRN COc1ccc(Cl)c2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@@H]21 ZINC000409150116 571159484 /nfs/dbraw/zinc/15/94/84/571159484.db2.gz AFXSEZZWHPDJSL-FMTVUPSXSA-N 0 0 356.809 5.083 40 10 FKCBRN COc1ccc(Cl)c2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@@H]21 ZINC000409150118 571159434 /nfs/dbraw/zinc/15/94/34/571159434.db2.gz AFXSEZZWHPDJSL-SOZUMNATSA-N 0 0 356.809 5.083 40 10 FKCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21 ZINC000409150269 571159414 /nfs/dbraw/zinc/15/94/14/571159414.db2.gz BAUZRCNKXNJVAJ-FUHIMQAGSA-N 0 0 353.849 5.262 40 10 FKCBRN COC(=O)c1ccc2c(c1C)N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@@H]21 ZINC000409150273 571159451 /nfs/dbraw/zinc/15/94/51/571159451.db2.gz BAUZRCNKXNJVAJ-MBOZVWFJSA-N 0 0 353.849 5.262 40 10 FKCBRN CCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 ZINC000409150356 570732410 /nfs/dbraw/zinc/73/24/10/570732410.db2.gz BFSRUPDZQGPPIC-QEEYODRMSA-N 0 0 354.837 5.637 40 10 FKCBRN CCc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 ZINC000409150357 570732426 /nfs/dbraw/zinc/73/24/26/570732426.db2.gz BFSRUPDZQGPPIC-STXHMFSFSA-N 0 0 354.837 5.637 40 10 FKCBRN Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000409150502 571159388 /nfs/dbraw/zinc/15/93/88/571159388.db2.gz CKUKHOXCUWULAF-BWACUDIHSA-N 0 0 352.211 6.098 40 10 FKCBRN Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c(Cl)c1)N2 ZINC000409150506 570732397 /nfs/dbraw/zinc/73/23/97/570732397.db2.gz 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/nfs/dbraw/zinc/16/04/10/571160410.db2.gz KOIBRGFXONUHTF-BWACUDIHSA-N 0 0 352.211 6.098 40 10 FKCBRN Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000409154651 263534690 /nfs/dbraw/zinc/53/46/90/263534690.db2.gz KOIBRGFXONUHTF-PEBVRCNWSA-N 0 0 352.211 6.098 40 10 FKCBRN Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2 ZINC000409154656 570733817 /nfs/dbraw/zinc/73/38/17/570733817.db2.gz KOIBRGFXONUHTF-PSTGCABASA-N 0 0 352.211 6.098 40 10 FKCBRN Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 ZINC000409154661 570733683 /nfs/dbraw/zinc/73/36/83/570733683.db2.gz KOIBRGFXONUHTF-QFSBIZTOSA-N 0 0 352.211 6.098 40 10 FKCBRN COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000409154698 571160400 /nfs/dbraw/zinc/16/04/00/571160400.db2.gz KSFJKFQQFLUTRR-LPMFXHHGSA-N 0 0 373.374 5.319 40 10 FKCBRN COC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000409154705 570733826 /nfs/dbraw/zinc/73/38/26/570733826.db2.gz KSFJKFQQFLUTRR-TYILLQQXSA-N 0 0 373.374 5.319 40 10 FKCBRN Cc1ccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@H]3C=CC[C@@H]32)cc1 ZINC000409154759 570733806 /nfs/dbraw/zinc/73/38/06/570733806.db2.gz HLHMFRUIVNPLDM-DEYYWGMASA-N 0 0 363.810 6.494 40 10 FKCBRN Cc1ccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000409154763 571160441 /nfs/dbraw/zinc/16/04/41/571160441.db2.gz HLHMFRUIVNPLDM-GLJUWKHASA-N 0 0 363.810 6.494 40 10 FKCBRN CC(C)c1ccc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000409154765 263534563 /nfs/dbraw/zinc/53/45/63/263534563.db2.gz KLOIDIRRPDIDFR-GUXCAODWSA-N 0 0 368.864 6.198 40 10 FKCBRN Cc1ccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@H]3C=CC[C@H]32)cc1 ZINC000409154770 571160386 /nfs/dbraw/zinc/16/03/86/571160386.db2.gz HLHMFRUIVNPLDM-IYOUNJFTSA-N 0 0 363.810 6.494 40 10 FKCBRN CC(C)c1ccc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@H]32)cc1 ZINC000409154774 570733793 /nfs/dbraw/zinc/73/37/93/570733793.db2.gz KLOIDIRRPDIDFR-QINHECLXSA-N 0 0 368.864 6.198 40 10 FKCBRN Cc1ccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@H]32)cc1 ZINC000409154775 263534205 /nfs/dbraw/zinc/53/42/05/263534205.db2.gz HLHMFRUIVNPLDM-LBTNJELSSA-N 0 0 363.810 6.494 40 10 FKCBRN COc1cccc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)c1 ZINC000409154823 571160434 /nfs/dbraw/zinc/16/04/34/571160434.db2.gz OPJANUGBKCEITJ-RKVPGOIHSA-N 0 0 356.809 5.083 40 10 FKCBRN COc1cccc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)c1 ZINC000409154828 570733803 /nfs/dbraw/zinc/73/38/03/570733803.db2.gz OPJANUGBKCEITJ-VKJFTORMSA-N 0 0 356.809 5.083 40 10 FKCBRN CCc1cccc2c1N[C@H](c1cccc(Br)c1)[C@@H]1CC=C[C@@H]21 ZINC000409154863 263534185 /nfs/dbraw/zinc/53/41/85/263534185.db2.gz HQEJYICCPJBWQG-ILZDJORESA-N 0 0 354.291 5.838 40 10 FKCBRN CCc1cccc2c1N[C@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21 ZINC000409154875 263534518 /nfs/dbraw/zinc/53/45/18/263534518.db2.gz HQEJYICCPJBWQG-XKGZKEIXSA-N 0 0 354.291 5.838 40 10 FKCBRN O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2 ZINC000409154963 570733730 /nfs/dbraw/zinc/73/37/30/570733730.db2.gz KZKDTUUPZKXRLI-BWACUDIHSA-N 0 0 361.228 5.728 40 10 FKCBRN O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Cl)N2 ZINC000409154966 570733692 /nfs/dbraw/zinc/73/36/92/570733692.db2.gz KZKDTUUPZKXRLI-PEBVRCNWSA-N 0 0 361.228 5.728 40 10 FKCBRN O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1Cl)N2 ZINC000409154969 570733755 /nfs/dbraw/zinc/73/37/55/570733755.db2.gz KZKDTUUPZKXRLI-PSTGCABASA-N 0 0 361.228 5.728 40 10 FKCBRN O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Cl)N2 ZINC000409154973 570733748 /nfs/dbraw/zinc/73/37/48/570733748.db2.gz KZKDTUUPZKXRLI-QFSBIZTOSA-N 0 0 361.228 5.728 40 10 FKCBRN Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C(C)C)cc1)N2 ZINC000409155126 571160471 /nfs/dbraw/zinc/16/04/71/571160471.db2.gz BWABSKXEJKJRBJ-WOIUINJBSA-N 0 0 362.473 6.162 40 10 FKCBRN Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C(C)C)cc1)N2 ZINC000409155127 571160384 /nfs/dbraw/zinc/16/03/84/571160384.db2.gz BWABSKXEJKJRBJ-XQBPLPMBSA-N 0 0 362.473 6.162 40 10 FKCBRN CCOc1cccc2c1N[C@H](c1cccc(Br)c1)[C@@H]1CC=C[C@@H]21 ZINC000409155166 571160406 /nfs/dbraw/zinc/16/04/06/571160406.db2.gz CIYZEXHMWSMHBL-GPMSIDNRSA-N 0 0 370.290 5.674 40 10 FKCBRN CCOc1cccc2c1N[C@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21 ZINC000409155168 571160474 /nfs/dbraw/zinc/16/04/74/571160474.db2.gz CIYZEXHMWSMHBL-JTDSTZFVSA-N 0 0 370.290 5.674 40 10 FKCBRN O=[N+]([O-])c1cc([C@@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@H]32)ccc1Cl ZINC000409155791 570733747 /nfs/dbraw/zinc/73/37/47/570733747.db2.gz CRHBQHUHVZRPKQ-JKDFXYPNSA-N 0 0 362.763 5.353 40 10 FKCBRN O=[N+]([O-])c1cc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@@H]32)ccc1Cl ZINC000409155792 570733781 /nfs/dbraw/zinc/73/37/81/570733781.db2.gz CRHBQHUHVZRPKQ-PEBVRCNWSA-N 0 0 362.763 5.353 40 10 FKCBRN O=[N+]([O-])c1cc([C@@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@@H]32)ccc1Cl ZINC000409155793 570733809 /nfs/dbraw/zinc/73/38/09/570733809.db2.gz CRHBQHUHVZRPKQ-PRXAMGSTSA-N 0 0 362.763 5.353 40 10 FKCBRN O=[N+]([O-])c1cc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@H]32)ccc1Cl ZINC000409155794 570733744 /nfs/dbraw/zinc/73/37/44/570733744.db2.gz CRHBQHUHVZRPKQ-QFSBIZTOSA-N 0 0 362.763 5.353 40 10 FKCBRN CC(C)c1cccc2c1N[C@H](c1cccc(Br)c1)[C@@H]1CC=C[C@@H]21 ZINC000409155826 570733699 /nfs/dbraw/zinc/73/36/99/570733699.db2.gz DEHFDOXWHVTJIB-QWFCFKBJSA-N 0 0 368.318 6.399 40 10 FKCBRN CC(C)c1cccc2c1N[C@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21 ZINC000409155827 571160774 /nfs/dbraw/zinc/16/07/74/571160774.db2.gz DEHFDOXWHVTJIB-WSTZPKSXSA-N 0 0 368.318 6.399 40 10 FKCBRN Cc1ccc(C)c2c1N[C@H](c1ccccc1Br)[C@H]1CC=C[C@H]21 ZINC000409156033 263535673 /nfs/dbraw/zinc/53/56/73/263535673.db2.gz KBCRNRDTUYGBEP-AVYPCKFXSA-N 0 0 354.291 5.892 40 10 FKCBRN Cc1ccc(C)c2c1N[C@H](c1ccccc1Br)[C@@H]1CC=C[C@H]21 ZINC000409156035 570733716 /nfs/dbraw/zinc/73/37/16/570733716.db2.gz KBCRNRDTUYGBEP-MDOVXXIYSA-N 0 0 354.291 5.892 40 10 FKCBRN Cc1ccc(C)c2c1N[C@H](c1ccccc1Br)[C@H]1CC=C[C@@H]21 ZINC000409156037 263535847 /nfs/dbraw/zinc/53/58/47/263535847.db2.gz KBCRNRDTUYGBEP-SIFCLUCFSA-N 0 0 354.291 5.892 40 10 FKCBRN Cc1ccc(C)c2c1N[C@H](c1ccccc1Br)[C@@H]1CC=C[C@@H]21 ZINC000409156038 571160418 /nfs/dbraw/zinc/16/04/18/571160418.db2.gz KBCRNRDTUYGBEP-SXGZJXTBSA-N 0 0 354.291 5.892 40 10 FKCBRN COC(=O)c1cccc2c1N[C@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@@H]21 ZINC000409156100 571160628 /nfs/dbraw/zinc/16/06/28/571160628.db2.gz KOOICIGZCKSJDI-VBHSOAQHSA-N 0 0 373.374 5.319 40 10 FKCBRN Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1C(F)(F)F)[C@@H]1CC=C[C@@H]21 ZINC000409156184 570733824 /nfs/dbraw/zinc/73/38/24/570733824.db2.gz SZDALRZLMUUCGR-LPMFXHHGSA-N 0 0 374.362 5.749 40 10 FKCBRN Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@@H]21 ZINC000409156186 571160777 /nfs/dbraw/zinc/16/07/77/571160777.db2.gz SZDALRZLMUUCGR-TYILLQQXSA-N 0 0 374.362 5.749 40 10 FKCBRN Cc1cc(Cl)cc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@@H]21 ZINC000409156298 571160785 /nfs/dbraw/zinc/16/07/85/571160785.db2.gz RSYOBDBNGVRYAX-LPMFXHHGSA-N 0 0 364.703 6.782 40 10 FKCBRN Cc1cc(Cl)cc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21 ZINC000409156302 571160917 /nfs/dbraw/zinc/16/09/17/571160917.db2.gz RSYOBDBNGVRYAX-TYILLQQXSA-N 0 0 364.703 6.782 40 10 FKCBRN O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000409156450 571160695 /nfs/dbraw/zinc/16/06/95/571160695.db2.gz OJCMRSLKOPWMRR-RKVPGOIHSA-N 0 0 360.335 5.440 40 10 FKCBRN O=[N+]([O-])c1ccc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000409156453 571160651 /nfs/dbraw/zinc/16/06/51/571160651.db2.gz OJCMRSLKOPWMRR-VKJFTORMSA-N 0 0 360.335 5.440 40 10 FKCBRN COC(=O)c1cccc2c1N[C@H](c1ccccc1C(F)(F)F)[C@@H]1CC=C[C@@H]21 ZINC000409156589 571160623 /nfs/dbraw/zinc/16/06/23/571160623.db2.gz KOOICIGZCKSJDI-VFVRVIDISA-N 0 0 373.374 5.319 40 10 FKCBRN CCc1cccc2c1N[C@H](c1ccccc1Br)[C@@H]1CC=C[C@@H]21 ZINC000409156606 571160730 /nfs/dbraw/zinc/16/07/30/571160730.db2.gz KVSZTMJOYPZSEE-NBQZKYEYSA-N 0 0 354.291 5.838 40 10 FKCBRN CCc1cccc2c1N[C@H](c1ccccc1Br)[C@H]1CC=C[C@@H]21 ZINC000409156607 570733719 /nfs/dbraw/zinc/73/37/19/570733719.db2.gz KVSZTMJOYPZSEE-UVFQYZLESA-N 0 0 354.291 5.838 40 10 FKCBRN COc1cccc([C@@H]2Nc3c(C)cc(Cl)cc3[C@@H]3C=CC[C@@H]32)c1OC ZINC000409156802 571160712 /nfs/dbraw/zinc/16/07/12/571160712.db2.gz HCPLQBRUMKBWDT-QEEYODRMSA-N 0 0 355.865 5.492 40 10 FKCBRN COc1cccc([C@@H]2Nc3c(C)cc(Cl)cc3[C@@H]3C=CC[C@H]32)c1OC ZINC000409156808 571160692 /nfs/dbraw/zinc/16/06/92/571160692.db2.gz HCPLQBRUMKBWDT-STXHMFSFSA-N 0 0 355.865 5.492 40 10 FKCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2 ZINC000409156901 570733831 /nfs/dbraw/zinc/73/38/31/570733831.db2.gz PIQGSUPRBVFGLJ-HBUWYVDXSA-N 0 0 357.812 5.092 40 10 FKCBRN COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N2 ZINC000409156906 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CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000409161352 571200767 /nfs/dbraw/zinc/20/07/67/571200767.db2.gz UAKYSGHHBPGMAW-SIFCLUCFSA-N 0 0 359.391 5.931 40 10 FKCBRN CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 ZINC000409161353 571200679 /nfs/dbraw/zinc/20/06/79/571200679.db2.gz UAKYSGHHBPGMAW-SXGZJXTBSA-N 0 0 359.391 5.931 40 10 FKCBRN COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000409161364 571200694 /nfs/dbraw/zinc/20/06/94/571200694.db2.gz UDQPGNQRTGOTIW-GQIGUUNPSA-N 0 0 353.849 5.262 40 10 FKCBRN COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2 ZINC000409161365 571200561 /nfs/dbraw/zinc/20/05/61/571200561.db2.gz UDQPGNQRTGOTIW-GUXCAODWSA-N 0 0 353.849 5.262 40 10 FKCBRN COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000409161366 263535251 /nfs/dbraw/zinc/53/52/51/263535251.db2.gz UDQPGNQRTGOTIW-JXXFODFXSA-N 0 0 353.849 5.262 40 10 FKCBRN COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2 ZINC000409161367 571200640 /nfs/dbraw/zinc/20/06/40/571200640.db2.gz UDQPGNQRTGOTIW-QINHECLXSA-N 0 0 353.849 5.262 40 10 FKCBRN COc1ccc(Br)cc1[C@@H]1Nc2c(F)cccc2[C@@H]2C=CC[C@@H]21 ZINC000409161428 571200599 /nfs/dbraw/zinc/20/05/99/571200599.db2.gz XDFVUPMCLZENPK-FHSNZYRGSA-N 0 0 374.253 5.423 40 10 FKCBRN COc1ccc(Br)cc1[C@@H]1Nc2c(F)cccc2[C@@H]2C=CC[C@H]21 ZINC000409161429 570732871 /nfs/dbraw/zinc/73/28/71/570732871.db2.gz XDFVUPMCLZENPK-SNUQEOBHSA-N 0 0 374.253 5.423 40 10 FKCBRN CCc1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 ZINC000409161598 571200644 /nfs/dbraw/zinc/20/06/44/571200644.db2.gz WIFDUKZNCZTMSO-DKICVRJWSA-N 0 0 354.837 5.637 40 10 FKCBRN CCc1cccc2c1N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 ZINC000409161599 263535795 /nfs/dbraw/zinc/53/57/95/263535795.db2.gz WIFDUKZNCZTMSO-YYFZDKIDSA-N 0 0 354.837 5.637 40 10 FKCBRN CC(C)c1ccc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000409161914 571200960 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ZINC000409163409 570734170 /nfs/dbraw/zinc/73/41/70/570734170.db2.gz RAQFSFHEVKNMAX-VBQJREDUSA-N 0 0 362.217 5.554 40 10 FKCBRN Fc1ccc([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000409163410 263536537 /nfs/dbraw/zinc/53/65/37/263536537.db2.gz RAQFSFHEVKNMAX-ZQIUZPCESA-N 0 0 362.217 5.554 40 10 FKCBRN O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000409163481 570734124 /nfs/dbraw/zinc/73/41/24/570734124.db2.gz SDCUKURHUNDIKN-CKEIUWERSA-N 0 0 361.228 5.728 40 10 FKCBRN O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2 ZINC000409163482 263536592 /nfs/dbraw/zinc/53/65/92/263536592.db2.gz SDCUKURHUNDIKN-CPUCHLNUSA-N 0 0 361.228 5.728 40 10 FKCBRN O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Cl)c1)N2 ZINC000409163483 571201310 /nfs/dbraw/zinc/20/13/10/571201310.db2.gz SDCUKURHUNDIKN-JKIFEVAISA-N 0 0 361.228 5.728 40 10 FKCBRN O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2 ZINC000409163484 571201214 /nfs/dbraw/zinc/20/12/14/571201214.db2.gz SDCUKURHUNDIKN-KEYYUXOJSA-N 0 0 361.228 5.728 40 10 FKCBRN CC(C)(C)c1ccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000409164011 570734692 /nfs/dbraw/zinc/73/46/92/570734692.db2.gz BEQCFMQOIYOOIU-GUXCAODWSA-N 0 0 372.339 7.117 40 10 FKCBRN CC(C)(C)c1ccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@H]32)cc1 ZINC000409164012 263536641 /nfs/dbraw/zinc/53/66/41/263536641.db2.gz BEQCFMQOIYOOIU-QINHECLXSA-N 0 0 372.339 7.117 40 10 FKCBRN Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000409164454 570734584 /nfs/dbraw/zinc/73/45/84/570734584.db2.gz IRSHZEXAZRGQDL-CKEIUWERSA-N 0 0 362.217 5.554 40 10 FKCBRN Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(Br)c1)N2 ZINC000409164455 570734674 /nfs/dbraw/zinc/73/46/74/570734674.db2.gz IRSHZEXAZRGQDL-CPUCHLNUSA-N 0 0 362.217 5.554 40 10 FKCBRN Fc1cc(F)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(Br)c1)N2 ZINC000409164456 263536550 /nfs/dbraw/zinc/53/65/50/263536550.db2.gz IRSHZEXAZRGQDL-JKIFEVAISA-N 0 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/nfs/dbraw/zinc/53/65/44/263536544.db2.gz MPTCQINAFVTKSV-IGCXYCKISA-N 0 0 367.773 6.324 40 10 FKCBRN Fc1ccc([C@@H]2Nc3c(Cl)ccc(C(F)(F)F)c3[C@@H]3C=CC[C@H]32)cc1 ZINC000409168463 263536289 /nfs/dbraw/zinc/53/62/89/263536289.db2.gz MPTCQINAFVTKSV-XNJGSVPQSA-N 0 0 367.773 6.324 40 10 FKCBRN CCc1ccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000409168655 570735033 /nfs/dbraw/zinc/73/50/33/570735033.db2.gz NVVRNTWZBQHYGH-GJYPPUQNSA-N 0 0 354.291 5.838 40 10 FKCBRN CCc1ccc([C@@H]2Nc3c(Br)cccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000409168656 571202685 /nfs/dbraw/zinc/20/26/85/571202685.db2.gz NVVRNTWZBQHYGH-MDZRGWNJSA-N 0 0 354.291 5.838 40 10 FKCBRN O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@@H]32)c1 ZINC000409168986 571202589 /nfs/dbraw/zinc/20/25/89/571202589.db2.gz ONTHVRRLQAWGGI-BWACUDIHSA-N 0 0 362.763 5.353 40 10 FKCBRN O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3c(F)cc(F)cc3[C@H]3C=CC[C@@H]32)c1 ZINC000409168989 571202740 /nfs/dbraw/zinc/20/27/40/571202740.db2.gz 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CCc1ccc([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000409174682 570735492 /nfs/dbraw/zinc/73/54/92/570735492.db2.gz NUSYXTDXFOZLKY-GJYPPUQNSA-N 0 0 372.281 5.977 40 10 FKCBRN CCc1ccc([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000409174683 571204556 /nfs/dbraw/zinc/20/45/56/571204556.db2.gz NUSYXTDXFOZLKY-MDZRGWNJSA-N 0 0 372.281 5.977 40 10 FKCBRN CCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1Br)N2 ZINC000409175113 263537227 /nfs/dbraw/zinc/53/72/27/263537227.db2.gz QBDONNPDWLNNSV-SIFCLUCFSA-N 0 0 354.291 5.838 40 10 FKCBRN CCc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1Br)N2 ZINC000409175114 570735526 /nfs/dbraw/zinc/73/55/26/570735526.db2.gz QBDONNPDWLNNSV-SXGZJXTBSA-N 0 0 354.291 5.838 40 10 FKCBRN COc1ccccc1[C@@H]1Nc2ccc(-c3ccccc3)cc2[C@@H]2C=CC[C@@H]21 ZINC000409175626 570735999 /nfs/dbraw/zinc/73/59/99/570735999.db2.gz TWYGPOZRLJOFBE-OHUGHZGNSA-N 0 0 353.465 6.189 40 10 FKCBRN COc1ccccc1[C@@H]1Nc2ccc(-c3ccccc3)cc2[C@@H]2C=CC[C@H]21 ZINC000409175627 571205166 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ZINC000409329980 571235234 /nfs/dbraw/zinc/23/52/34/571235234.db2.gz JIHDMEFUPGXBFT-NTEUORMPSA-N 0 0 363.554 5.184 40 10 FKCBRN CSc1cccc(N2C(=O)/C(=C\c3ccc(C)s3)SC2=S)c1 ZINC000409331177 263549152 /nfs/dbraw/zinc/54/91/52/263549152.db2.gz MIXUMLNORHPAJO-NTEUORMPSA-N 0 0 363.554 5.184 40 10 FKCBRN Cc1ccc(N2C(=O)/C(=C\c3ccc(OC(C)C)cc3)SC2=S)cc1 ZINC000409333469 263549376 /nfs/dbraw/zinc/54/93/76/263549376.db2.gz TYFXQYGFZKMNNS-LDADJPATSA-N 0 0 369.511 5.188 40 10 FKCBRN CCCN1C(=O)/C(=C/c2c(OC(C)C)ccc3ccccc32)SC1=S ZINC000409333495 570750837 /nfs/dbraw/zinc/75/08/37/570750837.db2.gz UBFHMNTWQACUMN-PDGQHHTCSA-N 0 0 371.527 5.238 40 10 FKCBRN Cc1cccc(N2C(=O)/C(=C\c3ccc(OC(C)C)cc3)SC2=S)c1 ZINC000409334275 570750834 /nfs/dbraw/zinc/75/08/34/570750834.db2.gz WOABPSVZIPJUBC-LDADJPATSA-N 0 0 369.511 5.188 40 10 FKCBRN CCc1cccc2c(/C=C3/SC(=S)N(C4CCCCC4)C3=O)c[nH]c21 ZINC000409334983 570751723 /nfs/dbraw/zinc/75/17/23/570751723.db2.gz YLCOQRPZQILUGK-GZTJUZNOSA-N 0 0 370.543 5.264 40 10 FKCBRN 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