smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Clc1ccc(Cl)c2c1N[C@H](c1cccnc1)[C@@H]1CC=C[C@H]21 ZINC000000037715 180674449 /nfs/dbraw/zinc/67/44/49/180674449.db2.gz MZSQUMXQODANFL-HWWQOWPSSA-N 0 0 317.219 5.215 10 10 DKCERN Fc1ccc([C@@H]2Nc3c4ccccc4ccc3[C@H]3C=CC[C@H]32)cc1 ZINC000001101612 180846762 /nfs/dbraw/zinc/84/67/62/180846762.db2.gz RSGILYIJFMEEDJ-ZVDOUQERSA-N 0 0 315.391 5.805 10 10 DKCERN CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(C)cc1)N2 ZINC000001461842 563284139 /nfs/dbraw/zinc/28/41/39/563284139.db2.gz YISGJIDDHJWKMA-BBTUJRGHSA-N 0 0 303.405 5.024 10 10 DKCERN CCC/C=C/C/C=C/CCCCCCCc1cccc(O)c1O ZINC000001531974 290941499 /nfs/dbraw/zinc/94/14/99/290941499.db2.gz RMTXUPIIESNLPW-AOSYACOCSA-N 0 0 316.485 6.284 10 10 biogenic,in-vitro DKCERN C(=C/c1ccccc1)\c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 ZINC000003779914 181045542 /nfs/dbraw/zinc/04/55/42/181045542.db2.gz IMVYISBBRSGYGM-WUKNDPDISA-N 0 0 322.411 5.914 10 10 DKCERN Cc1cc(C)c2c(c1)N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21 ZINC000004140480 181077828 /nfs/dbraw/zinc/07/78/28/181077828.db2.gz JZCSOTOURUSUHI-AVYPCKFXSA-N 0 0 309.840 5.783 10 10 DKCERN Cc1cc(C)c2c(c1)N[C@@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21 ZINC000004140481 181078267 /nfs/dbraw/zinc/07/82/67/181078267.db2.gz JZCSOTOURUSUHI-AUSJPIAWSA-N 0 0 309.840 5.783 10 10 DKCERN Cc1cc(C)c2c(c1)N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21 ZINC000004140482 181078109 /nfs/dbraw/zinc/07/81/09/181078109.db2.gz JZCSOTOURUSUHI-MDOVXXIYSA-N 0 0 309.840 5.783 10 10 DKCERN CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C)cc1)N2 ZINC000004140500 181078224 /nfs/dbraw/zinc/07/82/24/181078224.db2.gz YISGJIDDHJWKMA-WAOWUJCRSA-N 0 0 303.405 5.024 10 10 DKCERN CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(C)cc1)N2 ZINC000004140501 181077901 /nfs/dbraw/zinc/07/79/01/181077901.db2.gz YISGJIDDHJWKMA-UEXGIBASSA-N 0 0 303.405 5.024 10 10 DKCERN CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(C)cc1)N2 ZINC000004140502 181077808 /nfs/dbraw/zinc/07/78/08/181077808.db2.gz YISGJIDDHJWKMA-WFXMLNOXSA-N 0 0 303.405 5.024 10 10 DKCERN CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2 ZINC000004140602 181078741 /nfs/dbraw/zinc/07/87/41/181078741.db2.gz CWADRHVZNRIOQI-ZWOKBUDYSA-N 0 0 323.823 5.369 10 10 DKCERN CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2 ZINC000004140604 181078743 /nfs/dbraw/zinc/07/87/43/181078743.db2.gz CWADRHVZNRIOQI-QKLQHJQFSA-N 0 0 323.823 5.369 10 10 DKCERN Clc1ccc(Cl)c2c1N[C@@H](c1cccnc1)[C@H]1CC=C[C@H]21 ZINC000004151339 181079089 /nfs/dbraw/zinc/07/90/89/181079089.db2.gz MZSQUMXQODANFL-MKBNYLNASA-N 0 0 317.219 5.215 10 10 DKCERN Cc1ccc(C)c2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21 ZINC000004164916 181080154 /nfs/dbraw/zinc/08/01/54/181080154.db2.gz DUGJOXCAUZQPIR-ZWOKBUDYSA-N 0 0 320.392 5.038 10 10 DKCERN Cc1ccc(C)c2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21 ZINC000004164929 181080176 /nfs/dbraw/zinc/08/01/76/181080176.db2.gz DUGJOXCAUZQPIR-HLIPFELVSA-N 0 0 320.392 5.038 10 10 DKCERN Cc1ccc(C)c2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21 ZINC000004164954 181080215 /nfs/dbraw/zinc/08/02/15/181080215.db2.gz DUGJOXCAUZQPIR-QKLQHJQFSA-N 0 0 320.392 5.038 10 10 DKCERN CC1(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CCCCC1 ZINC000004462447 181110742 /nfs/dbraw/zinc/11/07/42/181110742.db2.gz YUQHPIRTIAJKRF-GHVJWSGMSA-N 0 0 321.424 6.011 10 10 DKCERN Clc1ccc([C@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000004839496 181160535 /nfs/dbraw/zinc/16/05/35/181160535.db2.gz VFLNARZAHJYLBO-HDMKZQKVSA-N 0 0 316.231 5.820 10 10 DKCERN Clc1ccc([C@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000004839498 181160738 /nfs/dbraw/zinc/16/07/38/181160738.db2.gz VFLNARZAHJYLBO-RLFYNMQTSA-N 0 0 316.231 5.820 10 10 DKCERN CC(C)(C)c1ccc2c(c1)C(=O)C(=O)c1cc(C(C)(C)C)ccc1-2 ZINC000005125690 181206522 /nfs/dbraw/zinc/20/65/22/181206522.db2.gz YCUNZGWKZODMHG-UHFFFAOYSA-N 0 0 320.432 5.328 10 10 DKCERN c1nc2ccc(/N=N/c3ccc(N4CCCC4)cc3)cc2s1 ZINC000005161820 181211809 /nfs/dbraw/zinc/21/18/09/181211809.db2.gz INMSFRDSKKWMOQ-FMQUCBEESA-N 0 0 308.410 5.312 10 10 DKCERN Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000005330559 181230300 /nfs/dbraw/zinc/23/03/00/181230300.db2.gz SKHFHONUDPMOIS-HLIPFELVSA-N 0 0 320.392 5.038 10 10 DKCERN Cc1cc(C)c2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000005330560 181230395 /nfs/dbraw/zinc/23/03/95/181230395.db2.gz SKHFHONUDPMOIS-ZWOKBUDYSA-N 0 0 320.392 5.038 10 10 DKCERN Cc1cc(C)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000005330561 181230298 /nfs/dbraw/zinc/23/02/98/181230298.db2.gz SKHFHONUDPMOIS-QKLQHJQFSA-N 0 0 320.392 5.038 10 10 DKCERN CC(C)(c1ccccc1)C1=CC(=NNc2ccccc2)C(=O)C=C1 ZINC000005358010 181234655 /nfs/dbraw/zinc/23/46/55/181234655.db2.gz GVMFWMBAYSJHFF-GHVJWSGMSA-N 0 0 316.404 6.134 10 10 DKCERN Cc1cccc(C(=O)Nc2ccc(/N=N/c3ccccc3)cc2)c1 ZINC000005418387 181241459 /nfs/dbraw/zinc/24/14/59/181241459.db2.gz QGARCYDUJDGZFU-GHVJWSGMSA-N 0 0 315.376 5.663 10 10 DKCERN Cc1ccccc1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000005549094 181256124 /nfs/dbraw/zinc/25/61/24/181256124.db2.gz UWLBGLNJXQCFJQ-GHVJWSGMSA-N 0 0 315.376 5.663 10 10 DKCERN Cc1cc(C)c(NN=C2C=C(Br)C=CC2=O)c(C)c1 ZINC000005678901 181271320 /nfs/dbraw/zinc/27/13/20/181271320.db2.gz GUWUFDJSYSOXDB-ISLYRVAYSA-N 0 0 319.202 5.495 10 10 DKCERN Cc1cc(C)cc(NN=C2C=C(Br)C=CC2=O)c1 ZINC000005679526 181271314 /nfs/dbraw/zinc/27/13/14/181271314.db2.gz FKMDASWAHOVCRJ-WUKNDPDISA-N 0 0 305.175 5.187 10 10 DKCERN CC1=CC(=NNc2cc(Cl)c(Cl)cc2Cl)C(=O)C=C1 ZINC000005681190 181271491 /nfs/dbraw/zinc/27/14/91/181271491.db2.gz MHWCSSKWFSBEAW-ISLYRVAYSA-N 0 0 315.587 6.076 10 10 DKCERN Cc1ccc(C)c(NN=C2C=C(Br)C=CC2=O)c1 ZINC000005681215 181271598 /nfs/dbraw/zinc/27/15/98/181271598.db2.gz WXMSVVCFRAWBGR-WUKNDPDISA-N 0 0 305.175 5.187 10 10 DKCERN CC1=CC(=NNc2ccc(N=Nc3ccccc3)cc2)C(=O)C=C1 ZINC000005681266 181271117 /nfs/dbraw/zinc/27/11/17/181271117.db2.gz WJNRZOOKLGVYEJ-RLJRJAJVSA-N 0 0 316.364 6.531 10 10 DKCERN Cc1ccc(NN=C2C=C(Br)C=CC2=O)c(C)c1 ZINC000005681520 181272059 /nfs/dbraw/zinc/27/20/59/181272059.db2.gz GYFDJZXLRXDWJE-WUKNDPDISA-N 0 0 305.175 5.187 10 10 DKCERN Cc1ccc(NN=C2C=C(Br)C=CC2=O)cc1C ZINC000005684123 181271934 /nfs/dbraw/zinc/27/19/34/181271934.db2.gz IGYPIURADAICAR-WUKNDPDISA-N 0 0 305.175 5.187 10 10 DKCERN O=C1C=CC(Br)=CC1=NNc1ccc(Cl)cc1 ZINC000005714778 181275511 /nfs/dbraw/zinc/27/55/11/181275511.db2.gz HZDBRTLMUHOVSK-FOCLMDBBSA-N 0 0 311.566 5.224 10 10 DKCERN Cc1ccc([C@H]2Nc3c(C)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000005740435 181279012 /nfs/dbraw/zinc/27/90/12/181279012.db2.gz YTFWYRZWBQLQRK-GQIGUUNPSA-N 0 0 320.392 5.038 10 10 DKCERN Cc1ccc([C@@H]2Nc3c(C)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc1 ZINC000005740439 181279271 /nfs/dbraw/zinc/27/92/71/181279271.db2.gz YTFWYRZWBQLQRK-GUXCAODWSA-N 0 0 320.392 5.038 10 10 DKCERN Clc1ccc(/N=N/c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000005784545 181283485 /nfs/dbraw/zinc/28/34/85/181283485.db2.gz SOBGIMQKWDUEPY-ISLYRVAYSA-N 0 0 320.006 6.716 10 10 endogenous,in-man DKCERN CCC1=CC(=NNc2ccc(Br)cc2)C(=O)C=C1 ZINC000005877366 181292648 /nfs/dbraw/zinc/29/26/48/181292648.db2.gz JOCQBTZNUHUELW-WUKNDPDISA-N 0 0 305.175 5.133 10 10 DKCERN CCC1=CC(=NNc2ccc(Oc3ccccc3)cc2)C(=O)C=C1 ZINC000005877380 181292580 /nfs/dbraw/zinc/29/25/80/181292580.db2.gz NQTHRAAETKKHQF-QURGRASLSA-N 0 0 318.376 6.162 10 10 DKCERN O=C1C=Cc2ccccc2C1=NN=c1[nH]c2ccccc2s1 ZINC000005935164 181298093 /nfs/dbraw/zinc/29/80/93/181298093.db2.gz NXFVJTJWPUVTKK-FMQUCBEESA-N 0 0 305.362 5.571 10 10 DKCERN CCOc1ccc([C@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000005980435 181303364 /nfs/dbraw/zinc/30/33/64/181303364.db2.gz KDZFAVWQRLLXOJ-WAOWUJCRSA-N 0 0 305.421 5.220 10 10 DKCERN CCOc1ccc([C@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000005980439 181303488 /nfs/dbraw/zinc/30/34/88/181303488.db2.gz KDZFAVWQRLLXOJ-BBTUJRGHSA-N 0 0 305.421 5.220 10 10 DKCERN CCOc1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000005980447 181303741 /nfs/dbraw/zinc/30/37/41/181303741.db2.gz KDZFAVWQRLLXOJ-UEXGIBASSA-N 0 0 305.421 5.220 10 10 DKCERN CCOc1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000005980450 181303557 /nfs/dbraw/zinc/30/35/57/181303557.db2.gz KDZFAVWQRLLXOJ-WFXMLNOXSA-N 0 0 305.421 5.220 10 10 DKCERN Cc1ccc([C@H]2Nc3c(C)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@H]32)cc1 ZINC000006044434 181307800 /nfs/dbraw/zinc/30/78/00/181307800.db2.gz YTFWYRZWBQLQRK-RZQQEMMASA-N 0 0 320.392 5.038 10 10 DKCERN Cc1ccc([C@H]2Nc3c(C)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@@H]32)cc1 ZINC000006044435 181307989 /nfs/dbraw/zinc/30/79/89/181307989.db2.gz YTFWYRZWBQLQRK-TWOQFEAHSA-N 0 0 320.392 5.038 10 10 DKCERN Cc1ccc([C@@H]2Nc3c(C)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@H]32)cc1 ZINC000006044449 181308054 /nfs/dbraw/zinc/30/80/54/181308054.db2.gz YTFWYRZWBQLQRK-YRNRMSPPSA-N 0 0 320.392 5.038 10 10 DKCERN Cc1ccc([C@@H]2Nc3c(C)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@@H]32)cc1 ZINC000006044450 181307752 /nfs/dbraw/zinc/30/77/52/181307752.db2.gz YTFWYRZWBQLQRK-FTRWYGJKSA-N 0 0 320.392 5.038 10 10 DKCERN Cc1cc(C)cc(/N=N/c2ccc(OCc3ccccc3)cc2)c1 ZINC000006069915 181310619 /nfs/dbraw/zinc/31/06/19/181310619.db2.gz PEKFOXIPLDGONJ-GHVJWSGMSA-N 0 0 316.404 6.298 10 10 DKCERN O=C(Cc1ccccc1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000006274832 181325084 /nfs/dbraw/zinc/32/50/84/181325084.db2.gz JIGHKJRRIKYZBE-GHVJWSGMSA-N 0 0 315.376 5.283 10 10 DKCERN O=C(CC1CCCC1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000006274865 181325210 /nfs/dbraw/zinc/32/52/10/181325210.db2.gz WACZBLPTQVDVOT-QURGRASLSA-N 0 0 307.397 5.621 10 10 DKCERN CC(C)C1=CC(=NNc2ccc(Cl)c(Cl)c2)C(=O)C=C1 ZINC000006307250 181327879 /nfs/dbraw/zinc/32/78/79/181327879.db2.gz UDKGYTWWJVODMY-VHEBQXMUSA-N 0 0 309.196 6.238 10 10 DKCERN CC(C)C1=CC(=NNc2ccc(Br)cc2)C(=O)C=C1 ZINC000006307253 181327890 /nfs/dbraw/zinc/32/78/90/181327890.db2.gz NUASDMVCJXGRLH-ISLYRVAYSA-N 0 0 319.202 5.694 10 10 DKCERN CC(C)c1ccc([C@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000006347518 181332975 /nfs/dbraw/zinc/33/29/75/181332975.db2.gz WWKOCQXSJJQFSU-WAOWUJCRSA-N 0 0 307.412 5.776 10 10 DKCERN CC(C)c1ccc([C@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@H]32)cc1 ZINC000006347525 181333348 /nfs/dbraw/zinc/33/33/48/181333348.db2.gz ACZMDPFWEBBCBK-SQGPQFPESA-N 0 0 323.867 6.290 10 10 DKCERN CC(C)c1ccc([C@H]2Nc3c(F)cccc3[C@H]3C=CC[C@H]32)cc1 ZINC000006347527 181333396 /nfs/dbraw/zinc/33/33/96/181333396.db2.gz CUCVWTAWCZXGRN-SQGPQFPESA-N 0 0 307.412 5.776 10 10 DKCERN CC(C)c1ccc([C@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000006347547 181333025 /nfs/dbraw/zinc/33/30/25/181333025.db2.gz WWKOCQXSJJQFSU-BBTUJRGHSA-N 0 0 307.412 5.776 10 10 DKCERN CC(C)c1ccc([C@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000006347554 181332925 /nfs/dbraw/zinc/33/29/25/181332925.db2.gz ACZMDPFWEBBCBK-ABSDTBQOSA-N 0 0 323.867 6.290 10 10 DKCERN CC(C)c1ccc([C@H]2Nc3c(F)cccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000006347557 181332984 /nfs/dbraw/zinc/33/29/84/181332984.db2.gz CUCVWTAWCZXGRN-ABSDTBQOSA-N 0 0 307.412 5.776 10 10 DKCERN CC(C)c1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21 ZINC000006347764 181333235 /nfs/dbraw/zinc/33/32/35/181333235.db2.gz BWVZHUQQERTSPC-BJLQDIEVSA-N 0 0 323.867 6.290 10 10 DKCERN CC(C)c1cccc2c1N[C@@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21 ZINC000006347766 181333186 /nfs/dbraw/zinc/33/31/86/181333186.db2.gz NHXKVEZSMIDNDV-BJLQDIEVSA-N 0 0 307.412 5.776 10 10 DKCERN CC(C)c1cccc2c1N[C@@H](c1cccc(Cl)c1)[C@H]1CC=C[C@H]21 ZINC000006347773 181333290 /nfs/dbraw/zinc/33/32/90/181333290.db2.gz IPZMFXZLVZPRPU-BJLQDIEVSA-N 0 0 323.867 6.290 10 10 DKCERN CC(C)c1cccc2c1N[C@@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21 ZINC000006347785 181332986 /nfs/dbraw/zinc/33/29/86/181332986.db2.gz DOSJRSQHNFEDJR-LDBYXDLTSA-N 0 0 323.867 6.290 10 10 DKCERN CC(C)c1cccc2c1N[C@@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21 ZINC000006347801 181333221 /nfs/dbraw/zinc/33/32/21/181333221.db2.gz BWVZHUQQERTSPC-NSHGMRRFSA-N 0 0 323.867 6.290 10 10 DKCERN CC(C)c1cccc2c1N[C@@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21 ZINC000006347802 181333335 /nfs/dbraw/zinc/33/33/35/181333335.db2.gz NHXKVEZSMIDNDV-NSHGMRRFSA-N 0 0 307.412 5.776 10 10 DKCERN CC(C)c1cccc2c1N[C@@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@H]21 ZINC000006347808 181333284 /nfs/dbraw/zinc/33/32/84/181333284.db2.gz IPZMFXZLVZPRPU-NSHGMRRFSA-N 0 0 323.867 6.290 10 10 DKCERN CC(C)c1cccc2c1N[C@@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21 ZINC000006347823 181333258 /nfs/dbraw/zinc/33/32/58/181333258.db2.gz DOSJRSQHNFEDJR-QLVMHMETSA-N 0 0 323.867 6.290 10 10 DKCERN CC(C)(c1ccc(O)cc1)c1ccc(Oc2ccc(N)cc2)cc1 ZINC000006364158 181334323 /nfs/dbraw/zinc/33/43/23/181334323.db2.gz QGBHQEBQOHITDU-UHFFFAOYSA-N 0 0 319.404 5.093 10 10 DKCERN CCOc1ccc(NN=C2C=C(Cl)C=C(Cl)C2=O)cc1 ZINC000006388165 181336419 /nfs/dbraw/zinc/33/64/19/181336419.db2.gz YQMQZELIFSQVPA-ISLYRVAYSA-N 0 0 311.168 5.513 10 10 DKCERN CCOc1ccc(NN=C2C=C(c3ccccc3)C=CC2=O)cc1 ZINC000006388184 181336579 /nfs/dbraw/zinc/33/65/79/181336579.db2.gz GXVPUDHXKAKCBC-QURGRASLSA-N 0 0 318.376 5.873 10 10 DKCERN CC[C@@H](C)C1=CC(=NNc2cc(OC)ccc2OC)C(=O)C=C1 ZINC000006391276 181336186 /nfs/dbraw/zinc/33/61/86/181336186.db2.gz WAMDRUXKJMPSQE-WMSNYHIESA-N 0 0 314.385 5.338 10 10 DKCERN CC[C@@H](C)C1=CC(=NNc2ccc(Cl)c(Cl)c2)C(=O)C=C1 ZINC000006391309 181336689 /nfs/dbraw/zinc/33/66/89/181336689.db2.gz XNMUBTPYINDAPZ-QUSGQHSNSA-N 0 0 323.223 6.628 10 10 DKCERN CC[C@@H](C)C1=CC(=NNc2ccc(Cl)cc2Cl)C(=O)C=C1 ZINC000006391449 181336583 /nfs/dbraw/zinc/33/65/83/181336583.db2.gz ZUYQURNHZGJLDV-QUSGQHSNSA-N 0 0 323.223 6.628 10 10 DKCERN CC[C@@H](C)C1=CC(=NNc2cccc(Cl)c2C)C(=O)C=C1 ZINC000006391462 181336475 /nfs/dbraw/zinc/33/64/75/181336475.db2.gz MLBOXUIDHSDPOL-FZTQVDHZSA-N 0 0 302.805 6.283 10 10 DKCERN CC[C@@H](C)C1=CC(=NNc2cccc3ccccc32)C(=O)C=C1 ZINC000006391473 181336414 /nfs/dbraw/zinc/33/64/14/181336414.db2.gz QZUUFPCMINHFFZ-CTBAPTLKSA-N 0 0 304.393 6.474 10 10 DKCERN CC[C@H](C)C1=CC(=NNc2cc(OC)ccc2OC)C(=O)C=C1 ZINC000006394902 181336949 /nfs/dbraw/zinc/33/69/49/181336949.db2.gz WAMDRUXKJMPSQE-IVGVGDLQSA-N 0 0 314.385 5.338 10 10 DKCERN CC[C@H](C)C1=CC(=NNc2ccc(Cl)c(Cl)c2)C(=O)C=C1 ZINC000006394924 181337100 /nfs/dbraw/zinc/33/71/00/181337100.db2.gz XNMUBTPYINDAPZ-MEFNJXNFSA-N 0 0 323.223 6.628 10 10 DKCERN CC[C@H](C)C1=CC(=NNc2ccc(Cl)cc2Cl)C(=O)C=C1 ZINC000006395070 181337222 /nfs/dbraw/zinc/33/72/22/181337222.db2.gz ZUYQURNHZGJLDV-MEFNJXNFSA-N 0 0 323.223 6.628 10 10 DKCERN CC[C@H](C)C1=CC(=NNc2cccc(Cl)c2C)C(=O)C=C1 ZINC000006395080 181337253 /nfs/dbraw/zinc/33/72/53/181337253.db2.gz MLBOXUIDHSDPOL-ASMYIELASA-N 0 0 302.805 6.283 10 10 DKCERN CC[C@H](C)C1=CC(=NNc2cccc3ccccc32)C(=O)C=C1 ZINC000006395092 181337039 /nfs/dbraw/zinc/33/70/39/181337039.db2.gz QZUUFPCMINHFFZ-OXBTWTFQSA-N 0 0 304.393 6.474 10 10 DKCERN CCC1=CC(=NNc2ccc(C)cc2)C(=O)C(Br)=C1 ZINC000006398351 181337329 /nfs/dbraw/zinc/33/73/29/181337329.db2.gz ASAOBYGJWVJRFU-ISLYRVAYSA-N 0 0 319.202 5.441 10 10 DKCERN CCC1=CC(=NNc2ccc(F)cc2)C(=O)C(Br)=C1 ZINC000006398371 181336930 /nfs/dbraw/zinc/33/69/30/181336930.db2.gz YWNOIGPUHXKQLT-ISLYRVAYSA-N 0 0 323.165 5.272 10 10 DKCERN COc1cccc(NN=C2C=C(c3ccccc3)C=CC2=O)c1 ZINC000006458053 181342725 /nfs/dbraw/zinc/34/27/25/181342725.db2.gz CLBPUICZZCXBFL-QZQOTICOSA-N 0 0 304.349 5.483 10 10 DKCERN Cc1c(Cl)cccc1NN=C1C=C(Cl)C=C(Cl)C1=O ZINC000006470019 181342684 /nfs/dbraw/zinc/34/26/84/181342684.db2.gz DBXZXSGFDKOISA-ISLYRVAYSA-N 0 0 315.587 6.076 10 10 DKCERN Cc1c(Cl)cccc1NN=C1C=C(c2ccccc2)C=CC1=O ZINC000006470021 181342999 /nfs/dbraw/zinc/34/29/99/181342999.db2.gz QLUSYCMXFXCUMH-QURGRASLSA-N 0 0 322.795 6.436 10 10 DKCERN CC1=CC(=NNc2ccc(F)cc2)C(=O)C(Br)=C1 ZINC000006474895 181343318 /nfs/dbraw/zinc/34/33/18/181343318.db2.gz OEHDBQNQAXVJRP-WUKNDPDISA-N 0 0 309.138 5.018 10 10 DKCERN Cc1cc(C)c(NN=C2C=C(Cl)C=C(Cl)C2=O)c(C)c1 ZINC000006475160 181343532 /nfs/dbraw/zinc/34/35/32/181343532.db2.gz LKXUTYGYDKVOOA-VHEBQXMUSA-N 0 0 309.196 6.040 10 10 DKCERN Cc1cc(C)c(NN=C2C=C(c3ccccc3)C=CC2=O)c(C)c1 ZINC000006475193 181343314 /nfs/dbraw/zinc/34/33/14/181343314.db2.gz BECLJEMSFNTJDN-GHVJWSGMSA-N 0 0 316.404 6.400 10 10 DKCERN Cc1cc(C)cc(NN=C2C=C(C)C=C(Br)C2=O)c1 ZINC000006476741 181343434 /nfs/dbraw/zinc/34/34/34/181343434.db2.gz GTNVCKFXVYDILZ-ISLYRVAYSA-N 0 0 319.202 5.495 10 10 DKCERN Cc1cc(C)cc(NN=C2C=C(Br)C=C(C)C2=O)c1 ZINC000006476751 181343579 /nfs/dbraw/zinc/34/35/79/181343579.db2.gz UJSFCEVRORKTDW-ISLYRVAYSA-N 0 0 319.202 5.495 10 10 DKCERN Cc1cc(C)cc(NN=C2C=C(c3ccccc3)C=CC2=O)c1 ZINC000006476786 181343529 /nfs/dbraw/zinc/34/35/29/181343529.db2.gz TYGAVNMOIUYABM-QURGRASLSA-N 0 0 302.377 6.091 10 10 DKCERN CC1=CC(Br)=CC(=NNc2ccc(F)cc2)C1=O ZINC000006477342 181343708 /nfs/dbraw/zinc/34/37/08/181343708.db2.gz ODHLQEQVDSKOGA-WUKNDPDISA-N 0 0 309.138 5.018 10 10 DKCERN Cc1ccc(C)c(NN=C2C=C(C)C=C(Br)C2=O)c1 ZINC000006477927 181344139 /nfs/dbraw/zinc/34/41/39/181344139.db2.gz KAANFSBIUMBIMS-ISLYRVAYSA-N 0 0 319.202 5.495 10 10 DKCERN Cc1ccc(C)c(NN=C2C=C(Br)C=C(C)C2=O)c1 ZINC000006477929 181344427 /nfs/dbraw/zinc/34/44/27/181344427.db2.gz FMIKCKUZFJVHEO-ISLYRVAYSA-N 0 0 319.202 5.495 10 10 DKCERN Cc1ccc(C)c(NN=C2C=C(c3ccccc3)C=CC2=O)c1 ZINC000006477937 181344255 /nfs/dbraw/zinc/34/42/55/181344255.db2.gz KXGVGSNWAMEOON-QURGRASLSA-N 0 0 302.377 6.091 10 10 DKCERN Cc1ccc(NN=C2C=C(Br)C=C(C)C2=O)c(C)c1 ZINC000006478025 181344328 /nfs/dbraw/zinc/34/43/28/181344328.db2.gz LETIEEKWRLTTGS-ISLYRVAYSA-N 0 0 319.202 5.495 10 10 DKCERN Cc1ccc(NN=C2C=C(c3ccccc3)C=CC2=O)c(C)c1 ZINC000006478034 181344477 /nfs/dbraw/zinc/34/44/77/181344477.db2.gz ISMJRDHJBOBTLR-QURGRASLSA-N 0 0 302.377 6.091 10 10 DKCERN Cc1ccc(NN=C2C=C(C)C=C(Br)C2=O)cc1 ZINC000006478703 181344438 /nfs/dbraw/zinc/34/44/38/181344438.db2.gz BZVFSKAXRYOJPL-WUKNDPDISA-N 0 0 305.175 5.187 10 10 DKCERN Cc1ccc(NN=C2C=C(Br)C=C(C)C2=O)cc1 ZINC000006478706 181344273 /nfs/dbraw/zinc/34/42/73/181344273.db2.gz SIYSKSDISVIWIT-WUKNDPDISA-N 0 0 305.175 5.187 10 10 DKCERN Cc1ccc(NN=C2C=C(C)C=C(Br)C2=O)cc1C ZINC000006480182 181344209 /nfs/dbraw/zinc/34/42/09/181344209.db2.gz SWQZWRORCSZWTO-ISLYRVAYSA-N 0 0 319.202 5.495 10 10 DKCERN Cc1ccc(NN=C2C=C(Br)C=C(C)C2=O)cc1C ZINC000006480185 181344222 /nfs/dbraw/zinc/34/42/22/181344222.db2.gz FVCIWOMAILUYGC-ISLYRVAYSA-N 0 0 319.202 5.495 10 10 DKCERN O=C1C(Cl)=CC(Cl)=CC1=NNc1cccc(Cl)c1 ZINC000006505700 181346661 /nfs/dbraw/zinc/34/66/61/181346661.db2.gz KVUCTLIKGDVCTK-WUKNDPDISA-N 0 0 301.560 5.768 10 10 DKCERN O=C1C=CC(Br)=CC1=NNc1cccc(Cl)c1 ZINC000006505701 181347610 /nfs/dbraw/zinc/34/76/10/181347610.db2.gz YNHVBSCWOKWHBQ-FOCLMDBBSA-N 0 0 311.566 5.224 10 10 DKCERN O=C1C(Cl)=CC(Cl)=CC1=NNc1ccc(Cl)cc1 ZINC000006505944 181347267 /nfs/dbraw/zinc/34/72/67/181347267.db2.gz JMJZVFKVAZIZHP-WUKNDPDISA-N 0 0 301.560 5.768 10 10 DKCERN O=C1C=CC(Cl)=CC1=NNc1ccc(Cl)c(Cl)c1 ZINC000006526193 181349297 /nfs/dbraw/zinc/34/92/97/181349297.db2.gz CMSLIYQWNIWPSW-WUKNDPDISA-N 0 0 301.560 5.768 10 10 DKCERN O=C1C=CC(Cl)=CC1=NNc1ccc(Cl)cc1Cl ZINC000006526215 181349657 /nfs/dbraw/zinc/34/96/57/181349657.db2.gz YHAJMIQDSPPNPD-WUKNDPDISA-N 0 0 301.560 5.768 10 10 DKCERN O=C1C=CC(Cl)=CC1=NNc1ccc(Br)cc1 ZINC000006526641 181350032 /nfs/dbraw/zinc/35/00/32/181350032.db2.gz KXEWACBOCZYKNF-FOCLMDBBSA-N 0 0 311.566 5.224 10 10 DKCERN O=C1C(Cl)=CC(Cl)=CC1=NNc1ccccc1Cl ZINC000006527328 181349466 /nfs/dbraw/zinc/34/94/66/181349466.db2.gz HNWGZEYBEGHFON-WUKNDPDISA-N 0 0 301.560 5.768 10 10 DKCERN O=C1C=CC(c2ccccc2)=CC1=NNc1ccc(Cl)cc1 ZINC000006530260 181350432 /nfs/dbraw/zinc/35/04/32/181350432.db2.gz RZTPDZZJZDKHGZ-QZQOTICOSA-N 0 0 308.768 6.128 10 10 DKCERN O=C1C=CC(c2ccccc2)=CC1=NNc1cccc(Cl)c1 ZINC000006530267 181350261 /nfs/dbraw/zinc/35/02/61/181350261.db2.gz LKNIGPXMJSBTIO-QZQOTICOSA-N 0 0 308.768 6.128 10 10 DKCERN O=C1C=CC(c2ccccc2)=CC1=NNc1cccc2ccccc21 ZINC000006530268 181351007 /nfs/dbraw/zinc/35/10/07/181351007.db2.gz UUITURLMTSDBIX-WCWDXBQESA-N 0 0 324.383 6.628 10 10 DKCERN O=C1C(Cl)=CC(Cl)=CC1=NNc1cccc2ccccc21 ZINC000006536534 181351996 /nfs/dbraw/zinc/35/19/96/181351996.db2.gz RCFMNAJXKFCIFS-FMQUCBEESA-N 0 0 317.175 6.268 10 10 DKCERN O=C1C(Br)=CC(Cl)=CC1=NNc1ccccc1 ZINC000006594824 181359274 /nfs/dbraw/zinc/35/92/74/181359274.db2.gz GOSFEBRHDNBTLQ-FOCLMDBBSA-N 0 0 311.566 5.224 10 10 DKCERN O=C1C(Cl)=CC(Br)=CC1=NNc1ccccc1 ZINC000006594845 181359460 /nfs/dbraw/zinc/35/94/60/181359460.db2.gz KAGWTNZOFKVIIQ-FOCLMDBBSA-N 0 0 311.566 5.224 10 10 DKCERN O=C1C=CC(Cl)=CC1=NNc1ccc(Oc2ccccc2)cc1 ZINC000006597888 181359173 /nfs/dbraw/zinc/35/91/73/181359173.db2.gz CKKYFEKDUAWIGF-QZQOTICOSA-N 0 0 324.767 6.253 10 10 DKCERN COc1cccc2c1N[C@@H](c1cccc(Cl)c1)[C@H]1CC=C[C@H]21 ZINC000006954856 181428480 /nfs/dbraw/zinc/42/84/80/181428480.db2.gz SWPTWTQTFANCQQ-MPGHIAIKSA-N 0 0 311.812 5.175 10 10 DKCERN Cc1cc(C)c2c(c1)N[C@@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@H]21 ZINC000006962702 190627055 /nfs/dbraw/zinc/62/70/55/190627055.db2.gz WBJMYWXFTWWFOZ-BXTJHSDWSA-N 0 0 320.392 5.038 10 10 DKCERN Cc1ccc(C)c2c1N[C@@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21 ZINC000006965858 181428937 /nfs/dbraw/zinc/42/89/37/181428937.db2.gz NFXOBVALQHSIQZ-HLIPFELVSA-N 0 0 309.840 5.783 10 10 DKCERN Cc1ccc(C)c2c1N[C@@H](c1ccccc1Cl)[C@@H]1CC=C[C@@H]21 ZINC000006965877 181428952 /nfs/dbraw/zinc/42/89/52/181428952.db2.gz NKNURLXYMJYPOI-STXHMFSFSA-N 0 0 309.840 5.783 10 10 DKCERN Cc1ccc(C)c2c1N[C@@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@H]21 ZINC000006965907 181428934 /nfs/dbraw/zinc/42/89/34/181428934.db2.gz YYRYWXFTXGYUBN-AUSJPIAWSA-N 0 0 320.392 5.038 10 10 DKCERN C1=C[C@H]2c3cc(-c4ccccc4)ccc3N[C@@H](c3ccccc3)[C@H]2C1 ZINC000007096779 181438551 /nfs/dbraw/zinc/43/85/51/181438551.db2.gz DGCJHFMPJJCZIS-DPLHUUCSSA-N 0 0 323.439 6.180 10 10 DKCERN COc1cccc([C@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@H]32)c1 ZINC000008168318 181532252 /nfs/dbraw/zinc/53/22/52/181532252.db2.gz XZYWAYCGNIDIAL-HDMKZQKVSA-N 0 0 311.812 5.175 10 10 DKCERN COc1cccc([C@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@@H]32)c1 ZINC000008168359 181532169 /nfs/dbraw/zinc/53/21/69/181532169.db2.gz SXXGMVBRZILBOU-TXPKVOOTSA-N 0 0 311.812 5.175 10 10 DKCERN COc1cccc([C@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@@H]32)c1 ZINC000008168369 181532015 /nfs/dbraw/zinc/53/20/15/181532015.db2.gz XZYWAYCGNIDIAL-RLFYNMQTSA-N 0 0 311.812 5.175 10 10 DKCERN O=C1C=CC(=NNc2ccc(Cl)c(Cl)c2)c2ccccc21 ZINC000012583173 181779845 /nfs/dbraw/zinc/77/98/45/181779845.db2.gz ZEDIMDUQSMACDT-FMQUCBEESA-N 0 0 317.175 6.268 10 10 DKCERN COc1ccc([C@@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@H]32)cc1 ZINC000013634637 181870746 /nfs/dbraw/zinc/87/07/46/181870746.db2.gz FOCPRKTZWCVGSJ-DAYGRLMNSA-N 0 0 311.812 5.175 10 10 DKCERN COc1ccc([C@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000013634652 181870797 /nfs/dbraw/zinc/87/07/97/181870797.db2.gz XGIMCBCNSRHBOF-TXPKVOOTSA-N 0 0 311.812 5.175 10 10 DKCERN COc1ccc([C@@H]2Nc3c(C)cc(C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000013634684 181870885 /nfs/dbraw/zinc/87/08/85/181870885.db2.gz FWYAAQNBTBTYQJ-UEXGIBASSA-N 0 0 305.421 5.139 10 10 DKCERN COc1ccc([C@@H]2Nc3cc(C)cc(C)c3[C@H]3C=CC[C@@H]32)cc1 ZINC000013634922 181870844 /nfs/dbraw/zinc/87/08/44/181870844.db2.gz FUEXLRYCFQIGHT-WFXMLNOXSA-N 0 0 305.421 5.139 10 10 DKCERN COc1ccc([C@@H]2Nc3c(C)ccc(C)c3[C@H]3C=CC[C@H]32)cc1 ZINC000013634940 181870849 /nfs/dbraw/zinc/87/08/49/181870849.db2.gz COLRVMINEVWZIG-UEXGIBASSA-N 0 0 305.421 5.139 10 10 DKCERN COc1ccc([C@@H]2Nc3c(C(C)C)cccc3[C@H]3C=CC[C@H]32)cc1 ZINC000013635973 181871421 /nfs/dbraw/zinc/87/14/21/181871421.db2.gz BQPDKFDAWUPBDF-ZVDOUQERSA-N 0 0 319.448 5.645 10 10 DKCERN Oc1ccc([C@@H]2Nc3c4ccccc4ccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000013636507 181871149 /nfs/dbraw/zinc/87/11/49/181871149.db2.gz ZDVBJIBBRVELMT-ZJOUEHCJSA-N 0 0 313.400 5.372 10 10 DKCERN Oc1ccc([C@H]2Nc3c4ccccc4ccc3[C@H]3C=CC[C@H]32)cc1 ZINC000013636508 181871360 /nfs/dbraw/zinc/87/13/60/181871360.db2.gz ZDVBJIBBRVELMT-QKNQBKEWSA-N 0 0 313.400 5.372 10 10 DKCERN Oc1ccc([C@@H]2Nc3c4ccccc4ccc3[C@H]3C=CC[C@H]32)cc1 ZINC000013636510 181871452 /nfs/dbraw/zinc/87/14/52/181871452.db2.gz ZDVBJIBBRVELMT-ZVDOUQERSA-N 0 0 313.400 5.372 10 10 DKCERN Cc1c(Cl)ccc2c1N[C@H](c1ccc(O)cc1)[C@@H]1CC=C[C@H]21 ZINC000013636908 181871090 /nfs/dbraw/zinc/87/10/90/181871090.db2.gz ZSIZJLKERZEILG-QMTMVMCOSA-N 0 0 311.812 5.181 10 10 DKCERN Cc1ccc(Cl)c2c1N[C@H](c1ccc(O)cc1)[C@@H]1CC=C[C@H]21 ZINC000013637484 181871249 /nfs/dbraw/zinc/87/12/49/181871249.db2.gz MQZSUTPULIHFNA-QMTMVMCOSA-N 0 0 311.812 5.181 10 10 DKCERN CCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1)N2 ZINC000013637657 181871537 /nfs/dbraw/zinc/87/15/37/181871537.db2.gz NDZAGDZHXHNZKK-WFXMLNOXSA-N 0 0 321.420 5.008 10 10 DKCERN CCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1)N2 ZINC000013637660 181871385 /nfs/dbraw/zinc/87/13/85/181871385.db2.gz NDZAGDZHXHNZKK-OPYAIIAOSA-N 0 0 321.420 5.008 10 10 DKCERN CCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1)N2 ZINC000013637663 181871317 /nfs/dbraw/zinc/87/13/17/181871317.db2.gz NDZAGDZHXHNZKK-UEXGIBASSA-N 0 0 321.420 5.008 10 10 DKCERN CC(C)Oc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1)N2 ZINC000013637727 181871092 /nfs/dbraw/zinc/87/10/92/181871092.db2.gz SBTLLOWMWRDRAE-WFXMLNOXSA-N 0 0 321.420 5.006 10 10 DKCERN CC(C)c1cccc2c1N[C@@H](c1ccc(O)cc1)[C@@H]1CC=C[C@H]21 ZINC000013637780 181871370 /nfs/dbraw/zinc/87/13/70/181871370.db2.gz AMAJIRKUZZNLSO-NSHGMRRFSA-N 0 0 305.421 5.342 10 10 DKCERN CC(C)Oc1cccc2c1N[C@H](c1ccc(O)cc1)[C@H]1CC=C[C@H]21 ZINC000013637960 181871664 /nfs/dbraw/zinc/87/16/64/181871664.db2.gz BDZWTYQLRLMKFC-ABSDTBQOSA-N 0 0 321.420 5.006 10 10 DKCERN CC(C)Oc1cccc2c1N[C@@H](c1ccc(O)cc1)[C@H]1CC=C[C@H]21 ZINC000013637963 181872126 /nfs/dbraw/zinc/87/21/26/181872126.db2.gz BDZWTYQLRLMKFC-ZWOKBUDYSA-N 0 0 321.420 5.006 10 10 DKCERN CN(C)c1ccc([C@@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@H]32)cc1 ZINC000013643382 181872282 /nfs/dbraw/zinc/87/22/82/181872282.db2.gz YALAOBANAUOJKE-FCEWJHQRSA-N 0 0 324.855 5.233 10 10 DKCERN CN(C)c1ccc([C@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000013643384 181873014 /nfs/dbraw/zinc/87/30/14/181873014.db2.gz YALAOBANAUOJKE-TXPKVOOTSA-N 0 0 324.855 5.233 10 10 DKCERN Cc1cc(C)c2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(N(C)C)cc1)N2 ZINC000013643404 181872330 /nfs/dbraw/zinc/87/23/30/181872330.db2.gz LFFBQXDJPOOQIR-IPJJNNNSSA-N 0 0 318.464 5.196 10 10 DKCERN Cc1ccsc1[C@H]1Nc2ccc(Cl)cc2[C@H]2C=CC[C@H]21 ZINC000013645452 181872786 /nfs/dbraw/zinc/87/27/86/181872786.db2.gz FRLVKYTWINZOLZ-ZENOOKHLSA-N 0 0 301.842 5.536 10 10 DKCERN Cc1ccsc1[C@@H]1Nc2ccc(Cl)cc2[C@H]2C=CC[C@@H]21 ZINC000013645461 181873119 /nfs/dbraw/zinc/87/31/19/181873119.db2.gz FRLVKYTWINZOLZ-HEHGZKQESA-N 0 0 301.842 5.536 10 10 DKCERN CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1sccc1C)N2 ZINC000013645494 181872239 /nfs/dbraw/zinc/87/22/39/181872239.db2.gz YWNRAQGRFUOASJ-RVKKMQEKSA-N 0 0 311.450 5.282 10 10 DKCERN CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1sccc1C)N2 ZINC000013645510 181873286 /nfs/dbraw/zinc/87/32/86/181873286.db2.gz VZHJOUVGYVDJIP-HDMKZQKVSA-N 0 0 309.434 5.086 10 10 DKCERN Cc1ccsc1[C@@H]1Nc2c(C)c(Cl)ccc2[C@H]2C=CC[C@H]21 ZINC000013645820 181873336 /nfs/dbraw/zinc/87/33/36/181873336.db2.gz UDWPHDQLDOQAMQ-OGHNNQOOSA-N 0 0 315.869 5.845 10 10 DKCERN Cc1ccsc1[C@H]1Nc2c(C)c(Cl)ccc2[C@H]2C=CC[C@@H]21 ZINC000013645823 181873374 /nfs/dbraw/zinc/87/33/74/181873374.db2.gz UDWPHDQLDOQAMQ-DCGLDWPTSA-N 0 0 315.869 5.845 10 10 DKCERN Cc1ccsc1[C@H]1Nc2c(C)ccc(Cl)c2[C@H]2C=CC[C@H]21 ZINC000014455967 181952075 /nfs/dbraw/zinc/95/20/75/181952075.db2.gz RQKRRFHHHNNKPS-AHIWAGSCSA-N 0 0 315.869 5.845 10 10 DKCERN Cc1ccsc1[C@@H]1Nc2c(C)ccc(Cl)c2[C@H]2C=CC[C@H]21 ZINC000014455968 181952045 /nfs/dbraw/zinc/95/20/45/181952045.db2.gz RQKRRFHHHNNKPS-OGHNNQOOSA-N 0 0 315.869 5.845 10 10 DKCERN CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C)s1)N2 ZINC000014456320 181952159 /nfs/dbraw/zinc/95/21/59/181952159.db2.gz WOOMBYPQRVXLTI-ZRGWGRIASA-N 0 0 311.450 5.282 10 10 DKCERN CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(C)s1)N2 ZINC000014456322 181952172 /nfs/dbraw/zinc/95/21/72/181952172.db2.gz WOOMBYPQRVXLTI-SPYBWZPUSA-N 0 0 311.450 5.282 10 10 DKCERN CCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(C)s1)N2 ZINC000014456323 181952079 /nfs/dbraw/zinc/95/20/79/181952079.db2.gz WOOMBYPQRVXLTI-QMTMVMCOSA-N 0 0 311.450 5.282 10 10 DKCERN CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C)s1)N2 ZINC000014456324 181952120 /nfs/dbraw/zinc/95/21/20/181952120.db2.gz SELUOLXCOQPINI-KHYOSLBOSA-N 0 0 309.434 5.086 10 10 DKCERN CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(C)s1)N2 ZINC000014456326 181951946 /nfs/dbraw/zinc/95/19/46/181951946.db2.gz SELUOLXCOQPINI-DOXZYTNZSA-N 0 0 309.434 5.086 10 10 DKCERN CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(C)s1)N2 ZINC000014456327 181951961 /nfs/dbraw/zinc/95/19/61/181951961.db2.gz SELUOLXCOQPINI-YZVOILCLSA-N 0 0 309.434 5.086 10 10 DKCERN Cc1ccc([C@@H]2Nc3c(C)c(Cl)ccc3[C@H]3C=CC[C@H]32)s1 ZINC000014456417 181952077 /nfs/dbraw/zinc/95/20/77/181952077.db2.gz WXGAMMYWOVNACH-VEVIJQCQSA-N 0 0 315.869 5.845 10 10 DKCERN Cc1ccc([C@H]2Nc3c(C)c(Cl)ccc3[C@H]3C=CC[C@@H]32)s1 ZINC000014456418 181952340 /nfs/dbraw/zinc/95/23/40/181952340.db2.gz WXGAMMYWOVNACH-LXIYXOSZSA-N 0 0 315.869 5.845 10 10 DKCERN Cc1ccc([C@H]2Nc3c(C)ccc(Cl)c3[C@H]3C=CC[C@H]32)s1 ZINC000014456624 181952144 /nfs/dbraw/zinc/95/21/44/181952144.db2.gz MXQLOVHYCXMPIP-JCGVRSQUSA-N 0 0 315.869 5.845 10 10 DKCERN Cc1ccc([C@@H]2Nc3c(C)ccc(Cl)c3[C@H]3C=CC[C@H]32)s1 ZINC000014456625 181952362 /nfs/dbraw/zinc/95/23/62/181952362.db2.gz MXQLOVHYCXMPIP-VEVIJQCQSA-N 0 0 315.869 5.845 10 10 DKCERN Cc1cc(C)c([C@@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@H]32)c(C)c1 ZINC000014457616 181952702 /nfs/dbraw/zinc/95/27/02/181952702.db2.gz DIRAUQJTSVLQSR-CSODHUTKSA-N 0 0 323.867 6.092 10 10 DKCERN Cc1cc(C)c([C@@H]2Nc3c(C)cc(C)cc3[C@H]3C=CC[C@H]32)c(C)c1 ZINC000014457624 181952671 /nfs/dbraw/zinc/95/26/71/181952671.db2.gz AFZCBGPHEZOMQS-YCRNBWNJSA-N 0 0 317.476 6.055 10 10 DKCERN Cc1cc(C)c([C@@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@@H]32)c(C)c1 ZINC000014457646 181952590 /nfs/dbraw/zinc/95/25/90/181952590.db2.gz YGXPQQSUWNCDEE-XGHQBKJUSA-N 0 0 307.412 5.577 10 10 DKCERN COc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(C)cc(C)cc1C)N2 ZINC000014457672 181952891 /nfs/dbraw/zinc/95/28/91/181952891.db2.gz PROPUTBCYJIAOC-NJNPRVFISA-N 0 0 319.448 5.447 10 10 DKCERN Cc1cc(C)c([C@H]2Nc3cc(C)cc(C)c3[C@H]3C=CC[C@H]32)c(C)c1 ZINC000014457695 181952822 /nfs/dbraw/zinc/95/28/22/181952822.db2.gz PSEJESOVHMTCFK-YYDVJCTNSA-N 0 0 317.476 6.055 10 10 DKCERN Cc1cc(C)c([C@@H]2Nc3c(C)ccc(C)c3[C@H]3C=CC[C@H]32)c(C)c1 ZINC000014457701 181952624 /nfs/dbraw/zinc/95/26/24/181952624.db2.gz RRNHESRLZAZFFV-YCRNBWNJSA-N 0 0 317.476 6.055 10 10 DKCERN Cc1cc(C)c([C@@H]2Nc3c(O)cccc3[C@H]3C=CC[C@H]32)c(C)c1 ZINC000014457743 181952867 /nfs/dbraw/zinc/95/28/67/181952867.db2.gz WRLCBYQYAUMKSU-QLVMHMETSA-N 0 0 305.421 5.144 10 10 DKCERN Cc1cc(C)c([C@@H]2Nc3c(O)cccc3[C@H]3C=CC[C@@H]32)c(C)c1 ZINC000014457745 181952578 /nfs/dbraw/zinc/95/25/78/181952578.db2.gz WRLCBYQYAUMKSU-LDBYXDLTSA-N 0 0 305.421 5.144 10 10 DKCERN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(C)cc(C)cc1C)N2 ZINC000014457746 181952701 /nfs/dbraw/zinc/95/27/01/181952701.db2.gz GUWMISWMPBJXDW-KGVIQGDOSA-N 0 0 303.449 5.747 10 10 DKCERN Cc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c(C)cc(C)cc1C)N2 ZINC000014457747 181952674 /nfs/dbraw/zinc/95/26/74/181952674.db2.gz GUWMISWMPBJXDW-NPPFBWRTSA-N 0 0 303.449 5.747 10 10 DKCERN Cc1cc(C)c([C@H]2Nc3c(C)c(C)ccc3[C@H]3C=CC[C@H]32)c(C)c1 ZINC000014457826 181952670 /nfs/dbraw/zinc/95/26/70/181952670.db2.gz PZZSDVMVPIBWFY-YYDVJCTNSA-N 0 0 317.476 6.055 10 10 DKCERN COc1cccc2c1N[C@H](c1c(C)cc(C)cc1C)[C@H]1CC=C[C@H]21 ZINC000014457844 181952876 /nfs/dbraw/zinc/95/28/76/181952876.db2.gz MGHUKXWCQGDLLH-NRJQMVOHSA-N 0 0 319.448 5.447 10 10 DKCERN Cc1ccc([C@@H]2Nc3c4ccccc4ccc3[C@H]3C=CC[C@H]32)cc1 ZINC000014458225 181952648 /nfs/dbraw/zinc/95/26/48/181952648.db2.gz NAFOQABYLUARAA-VWPQPMDRSA-N 0 0 311.428 5.975 10 10 DKCERN Cc1ccc([C@@H]2Nc3c4ccccc4ccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000014458227 181952649 /nfs/dbraw/zinc/95/26/49/181952649.db2.gz NAFOQABYLUARAA-ONTIZHBOSA-N 0 0 311.428 5.975 10 10 DKCERN CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C)cc1)N2 ZINC000014458278 181952620 /nfs/dbraw/zinc/95/26/20/181952620.db2.gz ZYAJAMOTSYRZNE-LQWHRVPQSA-N 0 0 305.421 5.220 10 10 DKCERN CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(C)cc1)N2 ZINC000014458280 181952633 /nfs/dbraw/zinc/95/26/33/181952633.db2.gz ZYAJAMOTSYRZNE-OPYAIIAOSA-N 0 0 305.421 5.220 10 10 DKCERN Cc1ccc([C@H]2Nc3c(C)c([N+](=O)[O-])ccc3[C@H]3C=CC[C@H]32)cc1 ZINC000014458346 181952631 /nfs/dbraw/zinc/95/26/31/181952631.db2.gz OKRNXWJUFKPQQJ-RZQQEMMASA-N 0 0 320.392 5.038 10 10 DKCERN Cc1ccc([C@H]2Nc3c(C)c([N+](=O)[O-])ccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000014458348 181952750 /nfs/dbraw/zinc/95/27/50/181952750.db2.gz OKRNXWJUFKPQQJ-TWOQFEAHSA-N 0 0 320.392 5.038 10 10 DKCERN Cc1ccc([C@@H]2Nc3c(C)c(Cl)ccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000014458357 181952838 /nfs/dbraw/zinc/95/28/38/181952838.db2.gz HXWOIEDLFANJTI-FTRWYGJKSA-N 0 0 309.840 5.783 10 10 DKCERN CCOc1cccc2c1N[C@@H](c1ccc(C)cc1)[C@H]1CC=C[C@H]21 ZINC000014458465 181952818 /nfs/dbraw/zinc/95/28/18/181952818.db2.gz IVQXECSGPXJIHC-ZWOKBUDYSA-N 0 0 305.421 5.220 10 10 DKCERN Cc1ccc([C@H]2Nc3c(C)ccc(Cl)c3[C@H]3C=CC[C@H]32)cc1 ZINC000014458542 181952859 /nfs/dbraw/zinc/95/28/59/181952859.db2.gz GZKVDWPEVYMRAZ-RZQQEMMASA-N 0 0 309.840 5.783 10 10 DKCERN Cc1ccc([C@H]2Nc3ccc(OC(C)C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000014458626 181952784 /nfs/dbraw/zinc/95/27/84/181952784.db2.gz ZNKLFRMTXYLIOA-NNMXDRDESA-N 0 0 319.448 5.609 10 10 DKCERN Cc1ccc([C@@H]2Nc3c(OC(C)C)cccc3[C@H]3C=CC[C@H]32)cc1 ZINC000014458707 181953181 /nfs/dbraw/zinc/95/31/81/181953181.db2.gz KCTUNLPMAGZQLW-UEXGIBASSA-N 0 0 319.448 5.609 10 10 DKCERN Clc1cccc([C@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@H]32)c1 ZINC000014460180 181953354 /nfs/dbraw/zinc/95/33/54/181953354.db2.gz FCXFQKRKNNOLMQ-JJRVBVJISA-N 0 0 316.231 5.820 10 10 DKCERN Clc1cccc([C@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@@H]32)c1 ZINC000014460182 181953260 /nfs/dbraw/zinc/95/32/60/181953260.db2.gz FCXFQKRKNNOLMQ-GRDNDAEWSA-N 0 0 316.231 5.820 10 10 DKCERN Clc1cccc([C@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@H]32)c1 ZINC000014460184 181953411 /nfs/dbraw/zinc/95/34/11/181953411.db2.gz WWKVOTGAULILET-HDMKZQKVSA-N 0 0 316.231 5.820 10 10 DKCERN Clc1cccc([C@@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@H]32)c1 ZINC000014460185 181953299 /nfs/dbraw/zinc/95/32/99/181953299.db2.gz WWKVOTGAULILET-DAYGRLMNSA-N 0 0 316.231 5.820 10 10 DKCERN Clc1cccc([C@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@@H]32)c1 ZINC000014460186 181953310 /nfs/dbraw/zinc/95/33/10/181953310.db2.gz WWKVOTGAULILET-RLFYNMQTSA-N 0 0 316.231 5.820 10 10 DKCERN COc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Cl)c1)N2 ZINC000014460233 181953369 /nfs/dbraw/zinc/95/33/69/181953369.db2.gz PWCOXWGUWJISTM-BXWFABGCSA-N 0 0 311.812 5.175 10 10 DKCERN Cc1cc(C)c2c(c1)N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@H]21 ZINC000014460254 181953096 /nfs/dbraw/zinc/95/30/96/181953096.db2.gz SBZSDBKFFCQKGH-SQGPQFPESA-N 0 0 309.840 5.783 10 10 DKCERN Cc1ccc(O)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2 ZINC000014460274 181953401 /nfs/dbraw/zinc/95/34/01/181953401.db2.gz MCZHOOWTLCAUDJ-RKVPGOIHSA-N 0 0 311.812 5.181 10 10 DKCERN CCN(CC)c1ccc([C@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 ZINC000014461390 181953211 /nfs/dbraw/zinc/95/32/11/181953211.db2.gz UAMMBMXQRLBJNE-SYYKKAFVSA-N 0 0 318.464 5.359 10 10 DKCERN CC(C)c1ccc([C@H]2Nc3ccc(Cl)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000014462530 181953269 /nfs/dbraw/zinc/95/32/69/181953269.db2.gz GVCLNZPPEGFFHS-BBTUJRGHSA-N 0 0 323.867 6.290 10 10 DKCERN Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(C)C)cc1)N2 ZINC000014462542 181953305 /nfs/dbraw/zinc/95/33/05/181953305.db2.gz RYXPLNINXFDFGZ-QTEQDKRBSA-N 0 0 317.476 6.253 10 10 DKCERN Cc1cc(C)c2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(C(C)C)cc1)N2 ZINC000014462544 181953373 /nfs/dbraw/zinc/95/33/73/181953373.db2.gz RYXPLNINXFDFGZ-JTAQYXEDSA-N 0 0 317.476 6.253 10 10 DKCERN Cc1cc(C)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(C(C)C)cc1)N2 ZINC000014462548 181953403 /nfs/dbraw/zinc/95/34/03/181953403.db2.gz RYXPLNINXFDFGZ-MZKRTTBSSA-N 0 0 317.476 6.253 10 10 DKCERN COc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(C(C)C)cc1)N2 ZINC000014462628 181953371 /nfs/dbraw/zinc/95/33/71/181953371.db2.gz SXVSYKLYNQVXBK-JQVVWYNYSA-N 0 0 319.448 5.645 10 10 DKCERN Cc1ccc(C)c2c1N[C@@H](c1ccc(C(C)C)cc1)[C@@H]1CC=C[C@H]21 ZINC000014462679 181953849 /nfs/dbraw/zinc/95/38/49/181953849.db2.gz PEXOOSWXYPCFFD-MZKRTTBSSA-N 0 0 317.476 6.253 10 10 DKCERN Cc1ccc(O)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(C)C)cc1)N2 ZINC000014462722 181953680 /nfs/dbraw/zinc/95/36/80/181953680.db2.gz SDJNRPQJFNGURF-LQWHRVPQSA-N 0 0 319.448 5.651 10 10 DKCERN Cc1ccc(O)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccc(C(C)C)cc1)N2 ZINC000014462728 181953765 /nfs/dbraw/zinc/95/37/65/181953765.db2.gz SDJNRPQJFNGURF-UEXGIBASSA-N 0 0 319.448 5.651 10 10 DKCERN Oc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc3ccccc31)N2 ZINC000014463638 181953636 /nfs/dbraw/zinc/95/36/36/181953636.db2.gz ISKUECYRFGXLIS-LRXVAGHRSA-N 0 0 313.400 5.372 10 10 DKCERN Oc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc3ccccc31)N2 ZINC000014463640 181953718 /nfs/dbraw/zinc/95/37/18/181953718.db2.gz ISKUECYRFGXLIS-KPLVRAHFSA-N 0 0 313.400 5.372 10 10 DKCERN Oc1cccc2c1N[C@H](c1cccc3ccccc31)[C@@H]1CC=C[C@H]21 ZINC000014463873 181953902 /nfs/dbraw/zinc/95/39/02/181953902.db2.gz PBTRHQIKZNSBNI-YRISNDGFSA-N 0 0 313.400 5.372 10 10 DKCERN Oc1cccc2c1N[C@H](c1cccc3ccccc31)[C@H]1CC=C[C@H]21 ZINC000014463877 181953855 /nfs/dbraw/zinc/95/38/55/181953855.db2.gz PBTRHQIKZNSBNI-DJPFJPOOSA-N 0 0 313.400 5.372 10 10 DKCERN Cc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc3ccccc31)N2 ZINC000014463883 181953721 /nfs/dbraw/zinc/95/37/21/181953721.db2.gz ISABDVXOMWEITH-LEDOBFOHSA-N 0 0 311.428 5.975 10 10 DKCERN Clc1ccc([C@@H]2Nc3c(Cl)cccc3[C@H]3C=CC[C@H]32)cc1 ZINC000014464804 181953581 /nfs/dbraw/zinc/95/35/81/181953581.db2.gz FYRNPTMFZDJZBS-VBQJREDUSA-N 0 0 316.231 5.820 10 10 DKCERN Cc1cc(C)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000014464819 181953564 /nfs/dbraw/zinc/95/35/64/181953564.db2.gz LVJLTYQMHQQDTA-QKLQHJQFSA-N 0 0 309.840 5.783 10 10 DKCERN COc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000014464860 181953582 /nfs/dbraw/zinc/95/35/82/181953582.db2.gz CTFCKRNAUGKSIT-BXWFABGCSA-N 0 0 311.812 5.175 10 10 DKCERN COc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000014464864 181953890 /nfs/dbraw/zinc/95/38/90/181953890.db2.gz CTFCKRNAUGKSIT-FCEWJHQRSA-N 0 0 311.812 5.175 10 10 DKCERN Cc1cc(C)c2c(c1)N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21 ZINC000014464894 181953791 /nfs/dbraw/zinc/95/37/91/181953791.db2.gz MDJAXVIBRZOMHX-ABSDTBQOSA-N 0 0 309.840 5.783 10 10 DKCERN Cc1ccc(O)c2c1[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 ZINC000014464935 181953701 /nfs/dbraw/zinc/95/37/01/181953701.db2.gz OIHRCUSIQYMLPF-MPGHIAIKSA-N 0 0 311.812 5.181 10 10 DKCERN Cc1ccc2c(c1C)N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21 ZINC000014465073 181953814 /nfs/dbraw/zinc/95/38/14/181953814.db2.gz DIEHANJQXKKANG-ABSDTBQOSA-N 0 0 309.840 5.783 10 10 DKCERN Cc1ccc2c(c1C)N[C@@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21 ZINC000014465078 181953812 /nfs/dbraw/zinc/95/38/12/181953812.db2.gz DIEHANJQXKKANG-QKLQHJQFSA-N 0 0 309.840 5.783 10 10 DKCERN Clc1ccccc1[C@H]1Nc2c(Cl)cccc2[C@H]2C=CC[C@H]21 ZINC000014465833 181953841 /nfs/dbraw/zinc/95/38/41/181953841.db2.gz KEMUYCRFTPBTPO-JKDFXYPNSA-N 0 0 316.231 5.820 10 10 DKCERN Cc1ccc(C)c2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 ZINC000014471638 181954185 /nfs/dbraw/zinc/95/41/85/181954185.db2.gz ZNODQSMUZABHFR-HLIPFELVSA-N 0 0 320.392 5.038 10 10 DKCERN Cc1ccc(C)c2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 ZINC000014471640 181954062 /nfs/dbraw/zinc/95/40/62/181954062.db2.gz ZNODQSMUZABHFR-QKLQHJQFSA-N 0 0 320.392 5.038 10 10 DKCERN Cc1ccc2c(c1C)N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 ZINC000014471803 181954289 /nfs/dbraw/zinc/95/42/89/181954289.db2.gz SWGCHECEFGQYHP-SQGPQFPESA-N 0 0 320.392 5.038 10 10 DKCERN Cc1c(Cl)ccc2c1N[C@H](c1ccccc1O)[C@H]1CC=C[C@H]21 ZINC000014473919 181954358 /nfs/dbraw/zinc/95/43/58/181954358.db2.gz DKIWRSGYYVFOFV-JMERFSKESA-N 0 0 311.812 5.181 10 10 DKCERN Cc1c(Cl)ccc2c1N[C@H](c1ccccc1O)[C@@H]1CC=C[C@H]21 ZINC000014473923 181954315 /nfs/dbraw/zinc/95/43/15/181954315.db2.gz DKIWRSGYYVFOFV-QUJCMNEKSA-N 0 0 311.812 5.181 10 10 DKCERN Cc1c(Cl)ccc2c1N[C@@H](c1ccccc1O)[C@@H]1CC=C[C@H]21 ZINC000014473925 181954206 /nfs/dbraw/zinc/95/42/06/181954206.db2.gz DKIWRSGYYVFOFV-XEKQOVJPSA-N 0 0 311.812 5.181 10 10 DKCERN CCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1O)N2 ZINC000014474421 181954085 /nfs/dbraw/zinc/95/40/85/181954085.db2.gz SLRNHHUCQGQRGE-GCKMJXCFSA-N 0 0 321.420 5.008 10 10 DKCERN CC(C)Oc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1O)N2 ZINC000014474464 181954080 /nfs/dbraw/zinc/95/40/80/181954080.db2.gz ISHXGQNULDNAQV-WHSLLNHNSA-N 0 0 321.420 5.006 10 10 DKCERN Oc1cccc2c1N[C@@H](c1ccc3ccccc3c1)[C@H]1CC=C[C@H]21 ZINC000014475160 181954728 /nfs/dbraw/zinc/95/47/28/181954728.db2.gz OEMNKPUYCCOHRX-WFXMLNOXSA-N 0 0 313.400 5.372 10 10 DKCERN Fc1cccc2c1N[C@H](c1ccc3ccccc3c1)[C@H]1CC=C[C@H]21 ZINC000014475275 181954899 /nfs/dbraw/zinc/95/48/99/181954899.db2.gz VNVSCYVAWWOYFB-BBTUJRGHSA-N 0 0 315.391 5.805 10 10 DKCERN Cc1ccccc1[C@H]1Nc2c3ccccc3ccc2[C@H]2C=CC[C@H]21 ZINC000014478457 181954842 /nfs/dbraw/zinc/95/48/42/181954842.db2.gz OMPSQWXVYHDQDU-TUNNFDKTSA-N 0 0 311.428 5.975 10 10 DKCERN CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1C)N2 ZINC000014478514 181954714 /nfs/dbraw/zinc/95/47/14/181954714.db2.gz LLTRAIQRTUVUHQ-OPYAIIAOSA-N 0 0 305.421 5.220 10 10 DKCERN CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1C)N2 ZINC000014478517 181954780 /nfs/dbraw/zinc/95/47/80/181954780.db2.gz JOIDHYZMQWBBHR-UEXGIBASSA-N 0 0 303.405 5.024 10 10 DKCERN CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1C)N2 ZINC000014478519 181954672 /nfs/dbraw/zinc/95/46/72/181954672.db2.gz JOIDHYZMQWBBHR-WFXMLNOXSA-N 0 0 303.405 5.024 10 10 DKCERN Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccccc1C)[C@@H]1CC=C[C@H]21 ZINC000014478576 181954645 /nfs/dbraw/zinc/95/46/45/181954645.db2.gz YPYGQQKDTPXRNT-RZQQEMMASA-N 0 0 320.392 5.038 10 10 DKCERN Cc1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccccc1C)[C@@H]1CC=C[C@H]21 ZINC000014478577 181954596 /nfs/dbraw/zinc/95/45/96/181954596.db2.gz YPYGQQKDTPXRNT-YRNRMSPPSA-N 0 0 320.392 5.038 10 10 DKCERN Cc1ccccc1[C@H]1Nc2c(C)ccc([N+](=O)[O-])c2[C@H]2C=CC[C@@H]21 ZINC000014478578 181954821 /nfs/dbraw/zinc/95/48/21/181954821.db2.gz YPYGQQKDTPXRNT-TWOQFEAHSA-N 0 0 320.392 5.038 10 10 DKCERN Cc1ccccc1[C@H]1Nc2c(C)c([N+](=O)[O-])ccc2[C@H]2C=CC[C@H]21 ZINC000014478596 181954940 /nfs/dbraw/zinc/95/49/40/181954940.db2.gz DDBBRDWBTKEABK-RZQQEMMASA-N 0 0 320.392 5.038 10 10 DKCERN Cc1ccccc1[C@H]1Nc2c(C)cc([N+](=O)[O-])cc2[C@H]2C=CC[C@H]21 ZINC000014478600 181954809 /nfs/dbraw/zinc/95/48/09/181954809.db2.gz IIIDNUGEQFCANF-SQGPQFPESA-N 0 0 320.392 5.038 10 10 DKCERN Cc1ccccc1[C@H]1Nc2c(C)ccc(Cl)c2[C@H]2C=CC[C@H]21 ZINC000014478814 181954883 /nfs/dbraw/zinc/95/48/83/181954883.db2.gz BXCNAGXQJSTPEY-RZQQEMMASA-N 0 0 309.840 5.783 10 10 DKCERN Cc1ccccc1[C@@H]1Nc2c(C)ccc(Cl)c2[C@H]2C=CC[C@H]21 ZINC000014478815 181954985 /nfs/dbraw/zinc/95/49/85/181954985.db2.gz BXCNAGXQJSTPEY-YRNRMSPPSA-N 0 0 309.840 5.783 10 10 DKCERN Cc1ccccc1[C@H]1Nc2c(C)ccc(Cl)c2[C@H]2C=CC[C@@H]21 ZINC000014478816 181954663 /nfs/dbraw/zinc/95/46/63/181954663.db2.gz BXCNAGXQJSTPEY-TWOQFEAHSA-N 0 0 309.840 5.783 10 10 DKCERN CCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1C)N2 ZINC000014478876 181954884 /nfs/dbraw/zinc/95/48/84/181954884.db2.gz ZXXTZQHSVAEIRB-KNKQGSTJSA-N 0 0 319.448 5.610 10 10 DKCERN Cc1ccccc1[C@@H]1Nc2ccc(OC(C)C)cc2[C@H]2C=CC[C@H]21 ZINC000014478899 181954836 /nfs/dbraw/zinc/95/48/36/181954836.db2.gz IMIVRZHJXURKJT-JQVVWYNYSA-N 0 0 319.448 5.609 10 10 DKCERN Cc1ccccc1[C@H]1Nc2c(C(C)C)cccc2[C@H]2C=CC[C@H]21 ZINC000014478914 181954634 /nfs/dbraw/zinc/95/46/34/181954634.db2.gz ZLRJUDFSAHQEHZ-SYYKKAFVSA-N 0 0 303.449 5.945 10 10 DKCERN Cc1ccccc1[C@@H]1Nc2c(C(C)C)cccc2[C@H]2C=CC[C@H]21 ZINC000014478915 181954769 /nfs/dbraw/zinc/95/47/69/181954769.db2.gz ZLRJUDFSAHQEHZ-UZKOGDIHSA-N 0 0 303.449 5.945 10 10 DKCERN Cc1ccccc1[C@@H]1Nc2c(C(C)C)cccc2[C@H]2C=CC[C@@H]21 ZINC000014478917 181954619 /nfs/dbraw/zinc/95/46/19/181954619.db2.gz ZLRJUDFSAHQEHZ-CBQOVEMMSA-N 0 0 303.449 5.945 10 10 DKCERN Cc1cccc([C@H]2Nc3c4ccccc4ccc3[C@H]3C=CC[C@@H]32)c1 ZINC000014479762 181954611 /nfs/dbraw/zinc/95/46/11/181954611.db2.gz BXXAZDZBLLYDIG-JAXLGGSGSA-N 0 0 311.428 5.975 10 10 DKCERN Cc1cccc([C@@H]2Nc3c4ccccc4ccc3[C@H]3C=CC[C@@H]32)c1 ZINC000014479763 181954920 /nfs/dbraw/zinc/95/49/20/181954920.db2.gz BXXAZDZBLLYDIG-ONTIZHBOSA-N 0 0 311.428 5.975 10 10 DKCERN CCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(C)c1)N2 ZINC000014479813 181954747 /nfs/dbraw/zinc/95/47/47/181954747.db2.gz MJULRQPENFAWNT-OPYAIIAOSA-N 0 0 305.421 5.220 10 10 DKCERN Cc1cccc([C@@H]2Nc3c(C)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@H]32)c1 ZINC000014479876 181955321 /nfs/dbraw/zinc/95/53/21/181955321.db2.gz CFFQIQNCNXQYOO-YRNRMSPPSA-N 0 0 320.392 5.038 10 10 DKCERN Cc1cccc([C@@H]2Nc3c(C)c([N+](=O)[O-])ccc3[C@H]3C=CC[C@@H]32)c1 ZINC000014479898 181955417 /nfs/dbraw/zinc/95/54/17/181955417.db2.gz IDZWXONJJFCYQN-FTRWYGJKSA-N 0 0 320.392 5.038 10 10 DKCERN Cc1cccc([C@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)c1 ZINC000014479901 181955583 /nfs/dbraw/zinc/95/55/83/181955583.db2.gz DWNBWYIUJCCCLE-ABSDTBQOSA-N 0 0 320.392 5.038 10 10 DKCERN Cc1cccc([C@H]2Nc3c(C)c(Cl)ccc3[C@H]3C=CC[C@H]32)c1 ZINC000014479907 181955252 /nfs/dbraw/zinc/95/52/52/181955252.db2.gz YZPIIMJLBUWSHT-RZQQEMMASA-N 0 0 309.840 5.783 10 10 DKCERN Cc1cccc([C@@H]2Nc3c(C)c(Cl)ccc3[C@H]3C=CC[C@@H]32)c1 ZINC000014479910 181955641 /nfs/dbraw/zinc/95/56/41/181955641.db2.gz YZPIIMJLBUWSHT-FTRWYGJKSA-N 0 0 309.840 5.783 10 10 DKCERN Cc1cccc([C@H]2Nc3c(C)ccc(Cl)c3[C@H]3C=CC[C@H]32)c1 ZINC000014480113 181955513 /nfs/dbraw/zinc/95/55/13/181955513.db2.gz KSAVVESTXBMXQZ-RZQQEMMASA-N 0 0 309.840 5.783 10 10 DKCERN Cc1cccc([C@H]2Nc3c(C)ccc(Cl)c3[C@H]3C=CC[C@@H]32)c1 ZINC000014480115 181955220 /nfs/dbraw/zinc/95/52/20/181955220.db2.gz KSAVVESTXBMXQZ-TWOQFEAHSA-N 0 0 309.840 5.783 10 10 DKCERN CCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(C)c1)N2 ZINC000014480174 181955529 /nfs/dbraw/zinc/95/55/29/181955529.db2.gz HCVOYBDKZAHTOH-IPJJNNNSSA-N 0 0 319.448 5.610 10 10 DKCERN CCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccc(C)c1)N2 ZINC000014480175 181955643 /nfs/dbraw/zinc/95/56/43/181955643.db2.gz HCVOYBDKZAHTOH-KNKQGSTJSA-N 0 0 319.448 5.610 10 10 DKCERN Cc1cccc([C@@H]2Nc3ccc(OC(C)C)cc3[C@H]3C=CC[C@@H]32)c1 ZINC000014480200 181955446 /nfs/dbraw/zinc/95/54/46/181955446.db2.gz UWXVTIKOISHMNI-IPJJNNNSSA-N 0 0 319.448 5.609 10 10 DKCERN Cc1cccc([C@H]2Nc3c(C(C)C)cccc3[C@H]3C=CC[C@H]32)c1 ZINC000014480213 181955243 /nfs/dbraw/zinc/95/52/43/181955243.db2.gz QTHOSYZQIYKBNL-QKNQBKEWSA-N 0 0 303.449 5.945 10 10 DKCERN Cc1cccc([C@H]2Nc3c(OC(C)C)cccc3[C@H]3C=CC[C@H]32)c1 ZINC000014480277 181955344 /nfs/dbraw/zinc/95/53/44/181955344.db2.gz NZLUEWFUZQQJEB-WAOWUJCRSA-N 0 0 319.448 5.609 10 10 DKCERN CCOc1ccc([C@H]2Nc3c(C)cc(C)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000014480466 517733246 /nfs/dbraw/zinc/73/32/46/517733246.db2.gz DEMYLWXRTKUOSJ-CNNODRBYSA-N 0 0 319.448 5.529 10 10 DKCERN CCOc1ccc([C@@H]2Nc3ccc(F)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000014480485 181955392 /nfs/dbraw/zinc/95/53/92/181955392.db2.gz ILSAQISAZBRANU-QKLQHJQFSA-N 0 0 309.384 5.051 10 10 DKCERN CCOc1ccc([C@H]2Nc3c(C)ccc(C)c3[C@H]3C=CC[C@H]32)cc1 ZINC000014480540 181955633 /nfs/dbraw/zinc/95/56/33/181955633.db2.gz QXVCQSHNWMUGOU-NNMXDRDESA-N 0 0 319.448 5.529 10 10 DKCERN CCOc1ccc([C@H]2Nc3c(C)c(C)ccc3[C@H]3C=CC[C@H]32)cc1 ZINC000014480662 181955540 /nfs/dbraw/zinc/95/55/40/181955540.db2.gz VGSAJBMGBQBBOU-NNMXDRDESA-N 0 0 319.448 5.529 10 10 DKCERN Clc1cccc2c1N[C@H](c1c[nH]c3ccccc31)[C@@H]1CC=C[C@H]21 ZINC000014544604 181956810 /nfs/dbraw/zinc/95/68/10/181956810.db2.gz PWTBTZITIMTEIH-CFZJUORYSA-N 0 0 320.823 5.648 10 10 DKCERN Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1c[nH]c3ccccc31)N2 ZINC000014544618 181957487 /nfs/dbraw/zinc/95/74/87/181957487.db2.gz SBLGYACJXLXBEC-ZDPZECHZSA-N 0 0 314.432 5.611 10 10 DKCERN Cc1cc(C)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c[nH]c3ccccc31)N2 ZINC000014544619 181957420 /nfs/dbraw/zinc/95/74/20/181957420.db2.gz SBLGYACJXLXBEC-LBUQITIBSA-N 0 0 314.432 5.611 10 10 DKCERN Fc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1c[nH]c3ccccc31)N2 ZINC000014544638 181957486 /nfs/dbraw/zinc/95/74/86/181957486.db2.gz KKSUPPGJZJTAMT-KPHUOKFYSA-N 0 0 304.368 5.134 10 10 DKCERN COc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c[nH]c3ccccc31)N2 ZINC000014544667 181957541 /nfs/dbraw/zinc/95/75/41/181957541.db2.gz TXIRDCOUUFLJSY-CMPZQBNXSA-N 0 0 316.404 5.003 10 10 DKCERN Cc1cc(C)c2c(c1)N[C@@H](c1c[nH]c3ccccc31)[C@H]1CC=C[C@H]21 ZINC000014544689 181957299 /nfs/dbraw/zinc/95/72/99/181957299.db2.gz KQOAJCKODGIVLR-PNLZDCPESA-N 0 0 314.432 5.611 10 10 DKCERN Cc1cc(C)c2c(c1)N[C@@H](c1c[nH]c3ccccc31)[C@@H]1CC=C[C@H]21 ZINC000014544691 181957558 /nfs/dbraw/zinc/95/75/58/181957558.db2.gz KQOAJCKODGIVLR-GSHUGGBRSA-N 0 0 314.432 5.611 10 10 DKCERN Cc1ccc(O)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1c[nH]c3ccccc31)N2 ZINC000014544728 181957501 /nfs/dbraw/zinc/95/75/01/181957501.db2.gz FTHUWJJWUAJJTN-QEEYODRMSA-N 0 0 316.404 5.008 10 10 DKCERN Cc1ccc(O)c2c1[C@@H]1C=CC[C@H]1[C@H](c1c[nH]c3ccccc31)N2 ZINC000014544730 181957445 /nfs/dbraw/zinc/95/74/45/181957445.db2.gz FTHUWJJWUAJJTN-STXHMFSFSA-N 0 0 316.404 5.008 10 10 DKCERN Cc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c[nH]c3ccccc31)N2 ZINC000014544743 181957333 /nfs/dbraw/zinc/95/73/33/181957333.db2.gz DWXPPMJVHWTWGW-CMPZQBNXSA-N 0 0 300.405 5.303 10 10 DKCERN Fc1cccc2c1N[C@H](c1c[nH]c3ccccc31)[C@H]1CC=C[C@H]21 ZINC000014544853 181957262 /nfs/dbraw/zinc/95/72/62/181957262.db2.gz YHXWYYMRDYDBMN-PJFSTRORSA-N 0 0 304.368 5.134 10 10 DKCERN CCOc1ccccc1[C@H]1Nc2ccc(F)cc2[C@H]2C=CC[C@@H]21 ZINC000014545288 181957363 /nfs/dbraw/zinc/95/73/63/181957363.db2.gz HGBUVEKSFNNJDD-AVYPCKFXSA-N 0 0 309.384 5.051 10 10 DKCERN CCOc1ccccc1[C@H]1Nc2cc(C)cc(C)c2[C@H]2C=CC[C@@H]21 ZINC000014545340 181957316 /nfs/dbraw/zinc/95/73/16/181957316.db2.gz YVDDSNNBPTUXDH-HOIFWPIMSA-N 0 0 319.448 5.529 10 10 DKCERN CCOc1ccccc1[C@@H]1Nc2c(C)ccc(C)c2[C@H]2C=CC[C@H]21 ZINC000014545343 181957454 /nfs/dbraw/zinc/95/74/54/181957454.db2.gz FBUNZXXOPDDWPO-GSHUGGBRSA-N 0 0 319.448 5.529 10 10 DKCERN CCOc1ccccc1[C@H]1Nc2ccc(C)cc2[C@H]2C=CC[C@H]21 ZINC000014545390 181957449 /nfs/dbraw/zinc/95/74/49/181957449.db2.gz GYYAKSKCGMKQMP-MRUHUIDDSA-N 0 0 305.421 5.220 10 10 DKCERN CCOc1ccccc1[C@@H]1Nc2ccc(C)cc2[C@H]2C=CC[C@@H]21 ZINC000014545393 181957326 /nfs/dbraw/zinc/95/73/26/181957326.db2.gz GYYAKSKCGMKQMP-CKJXQJPGSA-N 0 0 305.421 5.220 10 10 DKCERN CCOc1ccccc1[C@H]1Nc2c(C)c(C)ccc2[C@H]2C=CC[C@H]21 ZINC000014545468 181957185 /nfs/dbraw/zinc/95/71/85/181957185.db2.gz IKCWGKGKFUAKJA-JKSBSHDWSA-N 0 0 319.448 5.529 10 10 DKCERN CCOc1ccccc1[C@@H]1Nc2c(F)cccc2[C@H]2C=CC[C@H]21 ZINC000014545505 181957292 /nfs/dbraw/zinc/95/72/92/181957292.db2.gz UPCHZIWYZJKYEP-IQUTYRLHSA-N 0 0 309.384 5.051 10 10 DKCERN COc1ccccc1[C@@H]1Nc2c(Cl)cccc2[C@H]2C=CC[C@@H]21 ZINC000014545907 181957484 /nfs/dbraw/zinc/95/74/84/181957484.db2.gz FDMVIZFWYVTBGD-ZJNRKIDTSA-N 0 0 311.812 5.175 10 10 DKCERN COc1ccccc1[C@@H]1Nc2ccc(Cl)cc2[C@H]2C=CC[C@@H]21 ZINC000014545911 181957544 /nfs/dbraw/zinc/95/75/44/181957544.db2.gz KKBJETRIQVLCCK-CKFHNAJUSA-N 0 0 311.812 5.175 10 10 DKCERN COc1ccccc1[C@@H]1Nc2c(C)cc(C)cc2[C@@H]2C=CC[C@@H]21 ZINC000014545916 181957141 /nfs/dbraw/zinc/95/71/41/181957141.db2.gz PHJANQHTJRQDLD-VWKPWSFCSA-N 0 0 305.421 5.139 10 10 DKCERN COc1ccccc1[C@@H]1Nc2c(C)cc(C)cc2[C@@H]2C=CC[C@H]21 ZINC000014545918 181957282 /nfs/dbraw/zinc/95/72/82/181957282.db2.gz PHJANQHTJRQDLD-WHSLLNHNSA-N 0 0 305.421 5.139 10 10 DKCERN COc1ccccc1[C@@H]1Nc2c(C)ccc(C)c2[C@H]2C=CC[C@@H]21 ZINC000014545981 181957342 /nfs/dbraw/zinc/95/73/42/181957342.db2.gz PRZNUKVLTHMWGG-CKJXQJPGSA-N 0 0 305.421 5.139 10 10 DKCERN COc1ccccc1[C@@H]1Nc2c(C)ccc(C)c2[C@H]2C=CC[C@H]21 ZINC000014545983 181957178 /nfs/dbraw/zinc/95/71/78/181957178.db2.gz PRZNUKVLTHMWGG-GCKMJXCFSA-N 0 0 305.421 5.139 10 10 DKCERN COc1ccccc1[C@H]1Nc2c(C)c(C)ccc2[C@H]2C=CC[C@@H]21 ZINC000014546086 181957174 /nfs/dbraw/zinc/95/71/74/181957174.db2.gz JQQBGPOFDOOLFQ-QYWGDWMGSA-N 0 0 305.421 5.139 10 10 DKCERN COc1ccccc1[C@@H]1Nc2c(C)c(C)ccc2[C@H]2C=CC[C@H]21 ZINC000014546089 181957277 /nfs/dbraw/zinc/95/72/77/181957277.db2.gz JQQBGPOFDOOLFQ-GCKMJXCFSA-N 0 0 305.421 5.139 10 10 DKCERN CCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccnc1)N2 ZINC000014547480 181957941 /nfs/dbraw/zinc/95/79/41/181957941.db2.gz ODKKKCKZNXPYPZ-OPYAIIAOSA-N 0 0 320.436 5.087 10 10 DKCERN CCCCOc1cccc2c1N[C@H](c1cccnc1)[C@H]1CC=C[C@H]21 ZINC000014547562 181958022 /nfs/dbraw/zinc/95/80/22/181958022.db2.gz XDRWHWXQTVVAQW-ABSDTBQOSA-N 0 0 320.436 5.087 10 10 DKCERN CCCCOc1cccc2c1N[C@@H](c1cccnc1)[C@H]1CC=C[C@H]21 ZINC000014547563 181957923 /nfs/dbraw/zinc/95/79/23/181957923.db2.gz XDRWHWXQTVVAQW-ZWOKBUDYSA-N 0 0 320.436 5.087 10 10 DKCERN c1csc([C@H]2Nc3c4ccccc4ccc3[C@H]3C=CC[C@H]32)c1 ZINC000014548378 181958042 /nfs/dbraw/zinc/95/80/42/181958042.db2.gz NVRBWBIUCNLLKF-YRNRMSPPSA-N 0 0 303.430 5.728 10 10 DKCERN Clc1cc(Cl)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccs1)N2 ZINC000014548394 181957787 /nfs/dbraw/zinc/95/77/87/181957787.db2.gz VQPBUGDXFBCIFT-LYOVBCGYSA-N 0 0 322.260 5.881 10 10 DKCERN Clc1cc(Cl)c2c(c1)N[C@H](c1cccs1)[C@@H]1CC=C[C@H]21 ZINC000014548490 181957883 /nfs/dbraw/zinc/95/78/83/181957883.db2.gz BJEGAPUMJLZULR-USBNGQNGSA-N 0 0 322.260 5.881 10 10 DKCERN Cc1c(Cl)ccc2c1N[C@H](c1cccs1)[C@@H]1CC=C[C@H]21 ZINC000014548528 181957993 /nfs/dbraw/zinc/95/79/93/181957993.db2.gz FTTSTIJFDCZFBI-JKDFXYPNSA-N 0 0 301.842 5.536 10 10 DKCERN Clc1ccc(Cl)c2c1N[C@H](c1cccs1)[C@@H]1CC=C[C@H]21 ZINC000014548665 181957882 /nfs/dbraw/zinc/95/78/82/181957882.db2.gz WYWTWGYPCRHXMX-WMFXKJRFSA-N 0 0 322.260 5.881 10 10 DKCERN Cc1ccc(Cl)c2c1N[C@H](c1cccs1)[C@H]1CC=C[C@H]21 ZINC000014548729 181958038 /nfs/dbraw/zinc/95/80/38/181958038.db2.gz FZBUSEHHVHFMPI-PRXAMGSTSA-N 0 0 301.842 5.536 10 10 DKCERN CCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccs1)N2 ZINC000014548791 181957824 /nfs/dbraw/zinc/95/78/24/181957824.db2.gz WPDOILCAFDPWFJ-SPYBWZPUSA-N 0 0 311.450 5.363 10 10 DKCERN CC(C)Oc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccs1)N2 ZINC000014548813 181958632 /nfs/dbraw/zinc/95/86/32/181958632.db2.gz TXXFSZIQPAPFSW-ZRGWGRIASA-N 0 0 311.450 5.362 10 10 DKCERN CC(C)Oc1cccc2c1N[C@@H](c1cccs1)[C@H]1CC=C[C@H]21 ZINC000014548894 181958453 /nfs/dbraw/zinc/95/84/53/181958453.db2.gz WFMVBYQFRPIAAO-FRIZHTMISA-N 0 0 311.450 5.362 10 10 DKCERN CC(C)Oc1cccc2c1N[C@H](c1cccs1)[C@@H]1CC=C[C@H]21 ZINC000014548895 181958294 /nfs/dbraw/zinc/95/82/94/181958294.db2.gz WFMVBYQFRPIAAO-MUKKUYKPSA-N 0 0 311.450 5.362 10 10 DKCERN CC(C)Oc1cccc2c1N[C@@H](c1cccs1)[C@@H]1CC=C[C@H]21 ZINC000014548896 181958682 /nfs/dbraw/zinc/95/86/82/181958682.db2.gz WFMVBYQFRPIAAO-ZXYWRSMDSA-N 0 0 311.450 5.362 10 10 DKCERN Fc1ccc([C@@H]2Nc3c4ccccc4ccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000014549538 181958264 /nfs/dbraw/zinc/95/82/64/181958264.db2.gz RSGILYIJFMEEDJ-ZJOUEHCJSA-N 0 0 315.391 5.805 10 10 DKCERN Fc1ccc([C@H]2Nc3c4ccccc4ccc3[C@H]3C=CC[C@H]32)cc1 ZINC000014549539 181958686 /nfs/dbraw/zinc/95/86/86/181958686.db2.gz RSGILYIJFMEEDJ-QKNQBKEWSA-N 0 0 315.391 5.805 10 10 DKCERN Cc1ccc(Cl)c2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21 ZINC000014549781 181958635 /nfs/dbraw/zinc/95/86/35/181958635.db2.gz VKMWZVYIGBPYDV-YZVOILCLSA-N 0 0 313.803 5.614 10 10 DKCERN Cc1ccc(Cl)c2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21 ZINC000014549783 181958534 /nfs/dbraw/zinc/95/85/34/181958534.db2.gz VKMWZVYIGBPYDV-QMTMVMCOSA-N 0 0 313.803 5.614 10 10 DKCERN CCCOc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2 ZINC000014549842 181958224 /nfs/dbraw/zinc/95/82/24/181958224.db2.gz DBYZMLXOAYKASC-WFXMLNOXSA-N 0 0 323.411 5.441 10 10 DKCERN CC(C)Oc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2 ZINC000014549867 181958243 /nfs/dbraw/zinc/95/82/43/181958243.db2.gz VHXSYPACCSIWGB-OPYAIIAOSA-N 0 0 323.411 5.439 10 10 DKCERN CC(C)Oc1cccc2c1N[C@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21 ZINC000014549941 181958230 /nfs/dbraw/zinc/95/82/30/181958230.db2.gz HSNSOGSWWDBFLF-ABSDTBQOSA-N 0 0 323.411 5.439 10 10 DKCERN CC(C)Oc1cccc2c1N[C@@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21 ZINC000014549942 181958333 /nfs/dbraw/zinc/95/83/33/181958333.db2.gz HSNSOGSWWDBFLF-ZWOKBUDYSA-N 0 0 323.411 5.439 10 10 DKCERN CC(C)Oc1cccc2c1N[C@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21 ZINC000014549943 181958320 /nfs/dbraw/zinc/95/83/20/181958320.db2.gz HSNSOGSWWDBFLF-SQGPQFPESA-N 0 0 323.411 5.439 10 10 DKCERN CC(C)Oc1cccc2c1N[C@@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21 ZINC000014549944 181958679 /nfs/dbraw/zinc/95/86/79/181958679.db2.gz HSNSOGSWWDBFLF-QKLQHJQFSA-N 0 0 323.411 5.439 10 10 DKCERN COc1cccc([C@@H]2Nc3cc(C)cc(C)c3[C@H]3C=CC[C@H]32)c1 ZINC000014550171 181958560 /nfs/dbraw/zinc/95/85/60/181958560.db2.gz COQATRJBVRDKRD-UEXGIBASSA-N 0 0 305.421 5.139 10 10 DKCERN COc1cccc([C@@H]2Nc3c(C)ccc(C)c3[C@H]3C=CC[C@@H]32)c1 ZINC000014550173 181958671 /nfs/dbraw/zinc/95/86/71/181958671.db2.gz TVYYSCJDAXLWKR-WFXMLNOXSA-N 0 0 305.421 5.139 10 10 DKCERN COc1cccc([C@@H]2Nc3c(C)c(C)ccc3[C@H]3C=CC[C@H]32)c1 ZINC000014550282 181958513 /nfs/dbraw/zinc/95/85/13/181958513.db2.gz CJESEXSCZAGYCU-UEXGIBASSA-N 0 0 305.421 5.139 10 10 DKCERN COc1cccc([C@H]2Nc3c(C(C)C)cccc3[C@H]3C=CC[C@H]32)c1 ZINC000014550475 181958625 /nfs/dbraw/zinc/95/86/25/181958625.db2.gz NJDBEYVDRFKMSF-QKNQBKEWSA-N 0 0 319.448 5.645 10 10 DKCERN Clc1ccc(Cl)c2c1N[C@@H](c1ccccc1)[C@@H]1CC=C[C@H]21 ZINC000014551352 181958935 /nfs/dbraw/zinc/95/89/35/181958935.db2.gz UWYYQOMXTJDUOL-AHIWAGSCSA-N 0 0 316.231 5.820 10 10 DKCERN CCCCOc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 ZINC000014551465 181958905 /nfs/dbraw/zinc/95/89/05/181958905.db2.gz HZYOXCGTTGCBAQ-KNKQGSTJSA-N 0 0 319.448 5.692 10 10 DKCERN CC(C)COc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 ZINC000014551469 181958789 /nfs/dbraw/zinc/95/87/89/181958789.db2.gz GOTWWAKQHLJCTI-KNKQGSTJSA-N 0 0 319.448 5.548 10 10 DKCERN CC(C)COc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1)N2 ZINC000014551470 181958858 /nfs/dbraw/zinc/95/88/58/181958858.db2.gz GOTWWAKQHLJCTI-JQVVWYNYSA-N 0 0 319.448 5.548 10 10 DKCERN COc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(SC)cc1)N2 ZINC000014551798 181959217 /nfs/dbraw/zinc/95/92/17/181959217.db2.gz YNIFMFJPOCOSPW-ZWOKBUDYSA-N 0 0 323.461 5.244 10 10 DKCERN COc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(SC)cc1)N2 ZINC000014551800 181959142 /nfs/dbraw/zinc/95/91/42/181959142.db2.gz YNIFMFJPOCOSPW-QKLQHJQFSA-N 0 0 323.461 5.244 10 10 DKCERN CSc1ccc([C@@H]2Nc3cc(C)cc(C)c3[C@H]3C=CC[C@@H]32)cc1 ZINC000014551822 181958968 /nfs/dbraw/zinc/95/89/68/181958968.db2.gz OFHQWPHTAFONDN-WFXMLNOXSA-N 0 0 321.489 5.852 10 10 DKCERN CSc1ccc([C@@H]2Nc3c(C)ccc(C)c3[C@H]3C=CC[C@@H]32)cc1 ZINC000014551826 181958914 /nfs/dbraw/zinc/95/89/14/181958914.db2.gz IGEKWUDMIWFVMW-WFXMLNOXSA-N 0 0 321.489 5.852 10 10 DKCERN CSc1ccc([C@@H]2Nc3c(C)ccc(C)c3[C@@H]3C=CC[C@H]32)cc1 ZINC000014551827 181958994 /nfs/dbraw/zinc/95/89/94/181958994.db2.gz IGEKWUDMIWFVMW-OPYAIIAOSA-N 0 0 321.489 5.852 10 10 DKCERN CSc1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000014551874 181958918 /nfs/dbraw/zinc/95/89/18/181958918.db2.gz WTYQZTTYRZNPFW-ZWOKBUDYSA-N 0 0 307.462 5.543 10 10 DKCERN CSc1ccc([C@@H]2Nc3c(C)c(C)ccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000014551952 181958879 /nfs/dbraw/zinc/95/88/79/181958879.db2.gz UZGUDZYGFLIMHZ-WFXMLNOXSA-N 0 0 321.489 5.852 10 10 DKCERN COc1cccc2c1N[C@@H](c1ccc(SC)cc1)[C@@H]1CC=C[C@H]21 ZINC000014551971 181959084 /nfs/dbraw/zinc/95/90/84/181959084.db2.gz KVSXSGXAPHPIJS-FCEWJHQRSA-N 0 0 323.461 5.244 10 10 DKCERN C1=C[C@H]2c3cc(-c4ccccc4)ccc3N[C@H](c3cccnc3)[C@@H]2C1 ZINC000016293586 182039681 /nfs/dbraw/zinc/03/96/81/182039681.db2.gz XDRGSACBQCKLIK-TXTKFYIRSA-N 0 0 324.427 5.575 10 10 DKCERN C1=C[C@H]2c3cc(-c4ccccc4)ccc3N[C@H](c3cccnc3)[C@H]2C1 ZINC000016293589 182039544 /nfs/dbraw/zinc/03/95/44/182039544.db2.gz XDRGSACBQCKLIK-ZRCGQRJVSA-N 0 0 324.427 5.575 10 10 DKCERN Fc1ccc(-c2nc3ccccn3c2/N=N\c2ccccc2)cc1 ZINC000017719611 182085254 /nfs/dbraw/zinc/08/52/54/182085254.db2.gz UNUIPTQLNACRAP-FCQUAONHSA-N 0 0 316.339 5.556 10 10 DKCERN Cc1ccc(O)c2c1[C@H](C)C[C@H]2Nc1cc(Cl)ccc1C ZINC000019231080 182109528 /nfs/dbraw/zinc/10/95/28/182109528.db2.gz WELXTXRBRWWTAD-IUODEOHRSA-N 0 0 301.817 5.323 10 10 DKCERN Cc1ccc(O)c2c1[C@@H](C)C[C@H]2Nc1cc(Cl)ccc1C ZINC000019231081 182109479 /nfs/dbraw/zinc/10/94/79/182109479.db2.gz WELXTXRBRWWTAD-SWLSCSKDSA-N 0 0 301.817 5.323 10 10 DKCERN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2Nc1cc(Cl)ccc1C ZINC000019231082 182109529 /nfs/dbraw/zinc/10/95/29/182109529.db2.gz WELXTXRBRWWTAD-DOMZBBRYSA-N 0 0 301.817 5.323 10 10 DKCERN Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2Nc1cc(Cl)ccc1C ZINC000019231083 182109759 /nfs/dbraw/zinc/10/97/59/182109759.db2.gz WELXTXRBRWWTAD-WFASDCNBSA-N 0 0 301.817 5.323 10 10 DKCERN C[C@@H](Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1O ZINC000019231180 182109578 /nfs/dbraw/zinc/10/95/78/182109578.db2.gz YNPRGFLKBMUDRX-MRVPVSSYSA-N 0 0 316.615 5.526 10 10 DKCERN C[C@H](Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1O ZINC000019231181 182109612 /nfs/dbraw/zinc/10/96/12/182109612.db2.gz YNPRGFLKBMUDRX-QMMMGPOBSA-N 0 0 316.615 5.526 10 10 DKCERN Cc1ccc(O)c2c1[C@@H](C)C[C@H]2Nc1cccc(Cl)c1C ZINC000019231792 190644661 /nfs/dbraw/zinc/64/46/61/190644661.db2.gz SEBDWDITGWHXTM-XHDPSFHLSA-N 0 0 301.817 5.323 10 10 DKCERN CC[C@@H](Nc1cccc(C)c1)c1cc(Br)ccc1O ZINC000019877202 182160015 /nfs/dbraw/zinc/16/00/15/182160015.db2.gz RXCAXHZYVJDOPN-OAHLLOKOSA-N 0 0 320.230 5.026 10 10 DKCERN CC[C@H](Nc1cccc(C)c1)c1cc(Br)ccc1O ZINC000019877204 182159848 /nfs/dbraw/zinc/15/98/48/182159848.db2.gz RXCAXHZYVJDOPN-HNNXBMFYSA-N 0 0 320.230 5.026 10 10 DKCERN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C(C)C)cc1)N2 ZINC000019886624 182160578 /nfs/dbraw/zinc/16/05/78/182160578.db2.gz CGZZRIMJHIXEIF-WOIUINJBSA-N 0 0 303.449 5.945 10 10 DKCERN Cc1ccc(C)c2c1N[C@H](c1ccc(C(C)C)cc1)[C@@H]1CC=C[C@@H]21 ZINC000019887939 182160875 /nfs/dbraw/zinc/16/08/75/182160875.db2.gz PEXOOSWXYPCFFD-TXTKFYIRSA-N 0 0 317.476 6.253 10 10 DKCERN Cc1cc(C)c2c(c1)N[C@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21 ZINC000019888031 182160656 /nfs/dbraw/zinc/16/06/56/182160656.db2.gz SBZSDBKFFCQKGH-FUHIMQAGSA-N 0 0 309.840 5.783 10 10 DKCERN Cc1cc(C)c2c(c1)N[C@H](c1cccc(Cl)c1)[C@@H]1CC=C[C@@H]21 ZINC000019888032 182160855 /nfs/dbraw/zinc/16/08/55/182160855.db2.gz SBZSDBKFFCQKGH-MBOZVWFJSA-N 0 0 309.840 5.783 10 10 DKCERN Cc1ccc2c(c1C)N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 ZINC000019888241 182160984 /nfs/dbraw/zinc/16/09/84/182160984.db2.gz DIEHANJQXKKANG-FUHIMQAGSA-N 0 0 309.840 5.783 10 10 DKCERN Cc1ccc2c(c1C)N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21 ZINC000019888242 182160991 /nfs/dbraw/zinc/16/09/91/182160991.db2.gz DIEHANJQXKKANG-MBOZVWFJSA-N 0 0 309.840 5.783 10 10 DKCERN Cc1ccc2c(c1C)N[C@H](c1ccc(C(C)C)cc1)[C@@H]1CC=C[C@@H]21 ZINC000019888332 182160785 /nfs/dbraw/zinc/16/07/85/182160785.db2.gz ZCJLBDJQYVOVHH-TXTKFYIRSA-N 0 0 317.476 6.253 10 10 DKCERN Cc1ccc(C)c2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 ZINC000019889001 182161100 /nfs/dbraw/zinc/16/11/00/182161100.db2.gz ZNODQSMUZABHFR-FUHIMQAGSA-N 0 0 320.392 5.038 10 10 DKCERN Cc1ccc(C)c2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 ZINC000019889005 182160942 /nfs/dbraw/zinc/16/09/42/182160942.db2.gz ZNODQSMUZABHFR-MBOZVWFJSA-N 0 0 320.392 5.038 10 10 DKCERN Cc1cc(C)c2c(c1)N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21 ZINC000019889121 182161094 /nfs/dbraw/zinc/16/10/94/182161094.db2.gz MDJAXVIBRZOMHX-FUHIMQAGSA-N 0 0 309.840 5.783 10 10 DKCERN Cc1cc(C)c2c(c1)N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21 ZINC000019889122 182160811 /nfs/dbraw/zinc/16/08/11/182160811.db2.gz MDJAXVIBRZOMHX-MBOZVWFJSA-N 0 0 309.840 5.783 10 10 DKCERN Clc1ccc(Cl)c2c1N[C@H](c1ccccc1)[C@H]1CC=C[C@@H]21 ZINC000019889191 182161097 /nfs/dbraw/zinc/16/10/97/182161097.db2.gz UWYYQOMXTJDUOL-IIYDPXPESA-N 0 0 316.231 5.820 10 10 DKCERN Clc1ccc(Cl)c2c1N[C@H](c1ccccc1)[C@@H]1CC=C[C@@H]21 ZINC000019889193 182161134 /nfs/dbraw/zinc/16/11/34/182161134.db2.gz UWYYQOMXTJDUOL-PBFPGSCMSA-N 0 0 316.231 5.820 10 10 DKCERN Clc1ccc2c(c1Cl)N[C@H](c1ccccc1)[C@H]1CC=C[C@@H]21 ZINC000019889316 182160804 /nfs/dbraw/zinc/16/08/04/182160804.db2.gz XHANKAZNFRYVRJ-IIYDPXPESA-N 0 0 316.231 5.820 10 10 DKCERN Clc1ccc2c(c1Cl)N[C@H](c1ccccc1)[C@@H]1CC=C[C@@H]21 ZINC000019889319 182160923 /nfs/dbraw/zinc/16/09/23/182160923.db2.gz XHANKAZNFRYVRJ-PBFPGSCMSA-N 0 0 316.231 5.820 10 10 DKCERN CC[C@@H](Nc1ccc(C)cc1Br)c1ccccc1O ZINC000019901658 182162215 /nfs/dbraw/zinc/16/22/15/182162215.db2.gz RHKYVCJQGWDQND-CQSZACIVSA-N 0 0 320.230 5.026 10 10 DKCERN CC[C@H](Nc1ccc(C)cc1Br)c1ccccc1O ZINC000019901660 182162264 /nfs/dbraw/zinc/16/22/64/182162264.db2.gz RHKYVCJQGWDQND-AWEZNQCLSA-N 0 0 320.230 5.026 10 10 DKCERN CC[C@@H](Nc1ccc(Br)cc1C)c1ccccc1O ZINC000019905635 182163234 /nfs/dbraw/zinc/16/32/34/182163234.db2.gz YSGBXGOSOJYUGT-CQSZACIVSA-N 0 0 320.230 5.026 10 10 DKCERN CC[C@H](Nc1ccc(Br)cc1C)c1ccccc1O ZINC000019905636 182163225 /nfs/dbraw/zinc/16/32/25/182163225.db2.gz YSGBXGOSOJYUGT-AWEZNQCLSA-N 0 0 320.230 5.026 10 10 DKCERN CC[C@@H](Nc1ccc(Br)c(C)c1)c1ccccc1O ZINC000019908142 182163306 /nfs/dbraw/zinc/16/33/06/182163306.db2.gz YQJGIHMRMANFID-OAHLLOKOSA-N 0 0 320.230 5.026 10 10 DKCERN CC[C@H](Nc1ccc(Br)c(C)c1)c1ccccc1O ZINC000019908143 182163315 /nfs/dbraw/zinc/16/33/15/182163315.db2.gz YQJGIHMRMANFID-HNNXBMFYSA-N 0 0 320.230 5.026 10 10 DKCERN CC[C@@H](Nc1ccc(C)cc1)c1cc(Br)ccc1O ZINC000019964476 182171048 /nfs/dbraw/zinc/17/10/48/182171048.db2.gz XXZKCRDIEWSMOM-OAHLLOKOSA-N 0 0 320.230 5.026 10 10 DKCERN CC[C@H](Nc1ccc(C)cc1)c1cc(Br)ccc1O ZINC000019964477 182170778 /nfs/dbraw/zinc/17/07/78/182170778.db2.gz XXZKCRDIEWSMOM-HNNXBMFYSA-N 0 0 320.230 5.026 10 10 DKCERN CC[C@@H](Nc1ccccc1C)c1cc(Br)ccc1O ZINC000019965037 182170614 /nfs/dbraw/zinc/17/06/14/182170614.db2.gz AXJPBFMWMJGRFG-CQSZACIVSA-N 0 0 320.230 5.026 10 10 DKCERN CC[C@H](Nc1ccccc1C)c1cc(Br)ccc1O ZINC000019965038 182170820 /nfs/dbraw/zinc/17/08/20/182170820.db2.gz AXJPBFMWMJGRFG-AWEZNQCLSA-N 0 0 320.230 5.026 10 10 DKCERN CC(C)CCC[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000019985220 182173803 /nfs/dbraw/zinc/17/38/03/182173803.db2.gz TZBHBPGUKIWDDO-LLVKDONJSA-N 0 0 304.261 5.003 10 10 DKCERN CC(C)CCC[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000019985224 182173639 /nfs/dbraw/zinc/17/36/39/182173639.db2.gz TZBHBPGUKIWDDO-NSHDSACASA-N 0 0 304.261 5.003 10 10 DKCERN Cc1ccc(O)c2c1[C@H](C)C[C@H]2Nc1ccc(Cl)cc1Cl ZINC000019987680 182174420 /nfs/dbraw/zinc/17/44/20/182174420.db2.gz ROPLFSIJNYXBER-QMTHXVAHSA-N 0 0 322.235 5.668 10 10 DKCERN Cc1ccc(O)c2c1[C@@H](C)C[C@H]2Nc1ccc(Cl)cc1Cl ZINC000019987684 182174345 /nfs/dbraw/zinc/17/43/45/182174345.db2.gz ROPLFSIJNYXBER-IINYFYTJSA-N 0 0 322.235 5.668 10 10 DKCERN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2Nc1ccc(Cl)cc1Cl ZINC000019987695 182174604 /nfs/dbraw/zinc/17/46/04/182174604.db2.gz ROPLFSIJNYXBER-YGRLFVJLSA-N 0 0 322.235 5.668 10 10 DKCERN Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2Nc1ccc(Cl)cc1Cl ZINC000019987699 182174373 /nfs/dbraw/zinc/17/43/73/182174373.db2.gz ROPLFSIJNYXBER-HZMBPMFUSA-N 0 0 322.235 5.668 10 10 DKCERN Cc1ccc(O)c2c1[C@H](C)C[C@H]2Nc1ccc(C)c(Cl)c1 ZINC000019992037 182174900 /nfs/dbraw/zinc/17/49/00/182174900.db2.gz GFAVMHROWDQEMX-IUODEOHRSA-N 0 0 301.817 5.323 10 10 DKCERN Cc1ccc(O)c2c1[C@@H](C)C[C@H]2Nc1ccc(C)c(Cl)c1 ZINC000019992040 182174941 /nfs/dbraw/zinc/17/49/41/182174941.db2.gz GFAVMHROWDQEMX-SWLSCSKDSA-N 0 0 301.817 5.323 10 10 DKCERN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2Nc1ccc(C)c(Cl)c1 ZINC000019992043 182174901 /nfs/dbraw/zinc/17/49/01/182174901.db2.gz GFAVMHROWDQEMX-DOMZBBRYSA-N 0 0 301.817 5.323 10 10 DKCERN Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2Nc1ccc(C)c(Cl)c1 ZINC000019992046 182174954 /nfs/dbraw/zinc/17/49/54/182174954.db2.gz GFAVMHROWDQEMX-WFASDCNBSA-N 0 0 301.817 5.323 10 10 DKCERN Oc1ccc2ccccc2c1CNc1cc(Cl)cc(Cl)c1 ZINC000020023533 182179584 /nfs/dbraw/zinc/17/95/84/182179584.db2.gz OFWIMFCCHIEEPC-UHFFFAOYSA-N 0 0 318.203 5.464 10 10 DKCERN C1=C[C@H]2c3cc(-c4ccccc4)ccc3N[C@H](c3ccncc3)[C@@H]2C1 ZINC000020059012 182184261 /nfs/dbraw/zinc/18/42/61/182184261.db2.gz PQRRGKFDUQSERQ-TXTKFYIRSA-N 0 0 324.427 5.575 10 10 DKCERN C1=C[C@H]2c3cc(-c4ccccc4)ccc3N[C@H](c3ccncc3)[C@H]2C1 ZINC000020059016 182184461 /nfs/dbraw/zinc/18/44/61/182184461.db2.gz PQRRGKFDUQSERQ-ZRCGQRJVSA-N 0 0 324.427 5.575 10 10 DKCERN Clc1ccc2c(c1Cl)N[C@H](c1cccnc1)[C@H]1CC=C[C@@H]21 ZINC000020242368 182199404 /nfs/dbraw/zinc/19/94/04/182199404.db2.gz OLGHAYFHAPLUMZ-BFQNTYOBSA-N 0 0 317.219 5.215 10 10 DKCERN Clc1ccc2c(c1Cl)N[C@H](c1cccnc1)[C@@H]1CC=C[C@@H]21 ZINC000020242370 182199446 /nfs/dbraw/zinc/19/94/46/182199446.db2.gz OLGHAYFHAPLUMZ-XHBSWPGZSA-N 0 0 317.219 5.215 10 10 DKCERN Oc1ccc2ccccc2c1CNc1ccc(Cl)c(Cl)c1 ZINC000021502502 182276108 /nfs/dbraw/zinc/27/61/08/182276108.db2.gz GZWVOQYWKZZYNY-UHFFFAOYSA-N 0 0 318.203 5.464 10 10 DKCERN CC[C@H](Nc1cc(Br)ccc1C)c1ccccc1O ZINC000037091224 182867018 /nfs/dbraw/zinc/86/70/18/182867018.db2.gz NGQPKPKAOBPGOH-AWEZNQCLSA-N 0 0 320.230 5.026 10 10 DKCERN Clc1cc(Cl)c2c(c1)N[C@@H](c1cccnc1)[C@@H]1CC=C[C@@H]21 ZINC000059267178 184135997 /nfs/dbraw/zinc/13/59/97/184135997.db2.gz JPZNMCAOCWWHDQ-XNJGSVPQSA-N 0 0 317.219 5.215 10 10 DKCERN Clc1cc(Cl)c2c(c1)N[C@@H](c1cccnc1)[C@H]1CC=C[C@@H]21 ZINC000059267179 184136369 /nfs/dbraw/zinc/13/63/69/184136369.db2.gz JPZNMCAOCWWHDQ-IGCXYCKISA-N 0 0 317.219 5.215 10 10 DKCERN Clc1cc(Cl)c2c(c1)N[C@@H](c1ccncc1)[C@@H]1CC=C[C@@H]21 ZINC000059267180 184136383 /nfs/dbraw/zinc/13/63/83/184136383.db2.gz ZPSCRYWKCOJMAB-XNJGSVPQSA-N 0 0 317.219 5.215 10 10 DKCERN Clc1cc(Cl)c2c(c1)N[C@@H](c1ccncc1)[C@H]1CC=C[C@@H]21 ZINC000059267181 184136178 /nfs/dbraw/zinc/13/61/78/184136178.db2.gz ZPSCRYWKCOJMAB-IGCXYCKISA-N 0 0 317.219 5.215 10 10 DKCERN C[C@H](Nc1ccc(Cl)cc1Cl)c1ccc(F)cc1O ZINC000062744770 184251987 /nfs/dbraw/zinc/25/19/87/184251987.db2.gz HHVGUVGGUFEZED-QMMMGPOBSA-N 0 0 300.160 5.011 10 10 DKCERN C[C@@H](Nc1ccc(Cl)cc1Cl)c1ccc(F)cc1O ZINC000062744771 184252051 /nfs/dbraw/zinc/25/20/51/184252051.db2.gz HHVGUVGGUFEZED-MRVPVSSYSA-N 0 0 300.160 5.011 10 10 DKCERN CN(C)c1ccc(/C=C/c2nc3cc(Cl)ccc3s2)cc1 ZINC000082150647 192362486 /nfs/dbraw/zinc/36/24/86/192362486.db2.gz GTZOEAAJWUIIHU-BJMVGYQFSA-N 0 0 314.841 5.186 10 10 DKCERN Cc1ccc(NN=C2C=C(C(C)(C)C)C=C(C(C)(C)C)C2=O)cc1 ZINC000100030341 193793169 /nfs/dbraw/zinc/79/31/69/193793169.db2.gz PPGWYBFBYJUZQP-GHVJWSGMSA-N 0 0 324.468 6.711 10 10 DKCERN O=C1C=Cc2ccccc2C1=NNc1c(O)ccc2ccccc21 ZINC000101475239 193814513 /nfs/dbraw/zinc/81/45/13/193814513.db2.gz IXEOVKZZILZWSU-QURGRASLSA-N 0 0 314.344 5.820 10 10 DKCERN Nc1nc(-c2ccc(Cl)cc2)c(/N=N/c2ccccc2)s1 ZINC000106106817 194185893 /nfs/dbraw/zinc/18/58/93/194185893.db2.gz BICCETQETJTRJN-FMQUCBEESA-N 0 0 314.801 5.461 10 10 DKCERN Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000226911570 563770345 /nfs/dbraw/zinc/77/03/45/563770345.db2.gz SKHFHONUDPMOIS-FUHIMQAGSA-N 0 0 320.392 5.038 10 10 DKCERN Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 ZINC000226911585 563615045 /nfs/dbraw/zinc/61/50/45/563615045.db2.gz SKHFHONUDPMOIS-MBOZVWFJSA-N 0 0 320.392 5.038 10 10 DKCERN COc1ccc2ccccc2c1N=Nc1nc2ccccc2n1C ZINC000254824328 202906659 /nfs/dbraw/zinc/90/66/59/202906659.db2.gz SAFBMOSFAZZGOG-UHFFFAOYSA-N 0 0 316.364 5.151 10 10 DKCERN CN(C)c1ccc(/N=N/c2ccc3oc4ccccc4c3c2)cc1 ZINC000584592946 337373632 /nfs/dbraw/zinc/37/36/32/337373632.db2.gz NHBUABVRKUJYFD-QURGRASLSA-N 0 0 315.376 6.067 10 10 DKCERN CN(C)c1ccc(/N=N/c2ccc3c(c2)oc2ccccc23)cc1 ZINC000584592964 337373560 /nfs/dbraw/zinc/37/35/60/337373560.db2.gz QYITWBFCPOXWEL-QURGRASLSA-N 0 0 315.376 6.067 10 10 DKCERN CN(C)c1ccc(/N=N/c2cccc3oc4ccccc4c32)cc1 ZINC000584592993 337373549 /nfs/dbraw/zinc/37/35/49/337373549.db2.gz XNUIUOYPVUNRRP-QURGRASLSA-N 0 0 315.376 6.067 10 10 DKCERN