smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N=C1NC(c2ccc(Cl)cc2)=C[C@H](c2cccc(Cl)c2)S1 ZINC000006534912 210648368 /nfs/dbraw/zinc/64/83/68/210648368.db2.gz YESVGXMPKWCTKG-OAHLLOKOSA-N 0 3 335.259 5.137 1 0 EKAFHN CC(C)c1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1ncc[n-]1 ZINC000013472120 211562397 /nfs/dbraw/zinc/56/23/97/211562397.db2.gz GIHOQYUWVGLFEE-UHFFFAOYSA-N 0 3 340.450 5.144 1 0 EKAFHN Cc1cccc2c1Oc1ccccc1[C@@H]2SCCN1CCCCC1 ZINC000025968263 202137831 /nfs/dbraw/zinc/13/78/31/202137831.db2.gz KRXPHOAJOARONV-NRFANRHFSA-N 0 3 339.504 5.409 1 0 EKAFHN Cc1cccc2c1Oc1ccccc1[C@H]2SCCN1CCCCC1 ZINC000025968269 202138165 /nfs/dbraw/zinc/13/81/65/202138165.db2.gz KRXPHOAJOARONV-OAQYLSRUSA-N 0 3 339.504 5.409 1 0 EKAFHN Clc1ccc2sc(C3=CCN(Cc4ccccc4)CC3)nc2c1 ZINC000026285220 202141734 /nfs/dbraw/zinc/14/17/34/202141734.db2.gz ZDICBICTFYTIFR-UHFFFAOYSA-N 0 3 340.879 5.239 1 0 EKAFHN CN(C)CCSc1nc2ccccc2cc1-c1ccc(Cl)cc1 ZINC000026376577 202142068 /nfs/dbraw/zinc/14/20/68/202142068.db2.gz BOWJXHWMIHYCPV-UHFFFAOYSA-N 0 3 342.895 5.209 1 0 EKAFHN Cc1c2ccccc2nc(SCCN(C)C)c1-c1ccc(F)cc1 ZINC000026377134 202143224 /nfs/dbraw/zinc/14/32/24/202143224.db2.gz ZTSPMUGCWAVOLM-UHFFFAOYSA-N 0 3 340.467 5.003 1 0 EKAFHN CN(C)CCNc1cc(Cl)ccc1Sc1ccc(Cl)cc1 ZINC000026487200 202144377 /nfs/dbraw/zinc/14/43/77/202144377.db2.gz LTQFJIXKCLEBFC-UHFFFAOYSA-N 0 3 341.307 5.118 1 0 EKAFHN c1csc(CCCCN2[C@@H]3CC[C@H]2Cc2[nH]c4ccccc4c23)c1 ZINC000027104521 202151843 /nfs/dbraw/zinc/15/18/43/202151843.db2.gz MVZQFWPPZDOLHW-MGPUTAFESA-N 0 3 336.504 5.314 1 0 EKAFHN Cn1c2ccccc2c2c1C[C@@H]1CC[C@H]2N1CCCCc1ccccc1 ZINC000027105453 202151686 /nfs/dbraw/zinc/15/16/86/202151686.db2.gz WSPJJPNQUVUIAC-SIKLNZKXSA-N 0 3 344.502 5.263 1 0 EKAFHN CSc1ccc2c(c1)[C@@H](SCCN(C)C)Cc1ccccc1O2 ZINC000027554326 202155808 /nfs/dbraw/zinc/15/58/08/202155808.db2.gz OWVYTMCRJKKBAS-IBGZPJMESA-N 0 3 345.533 5.093 1 0 EKAFHN CN1CCC2(CN(c3ccccc3Cl)c3cc(Cl)ccc32)CC1 ZINC000028094583 202165839 /nfs/dbraw/zinc/16/58/39/202165839.db2.gz QHFWGPNLLRPTQS-UHFFFAOYSA-N 0 3 347.289 5.109 1 0 EKAFHN Fc1cccc(CCC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)c1 ZINC000028119538 202165784 /nfs/dbraw/zinc/16/57/84/202165784.db2.gz FEOPHJDOPNEXKE-ZRZAMGCNSA-N 0 3 344.433 5.243 1 0 EKAFHN Fc1ccc(CCC2=N[C@@H](c3ccccc3)[C@@H](c3ccccc3)N2)cc1 ZINC000028119545 202165109 /nfs/dbraw/zinc/16/51/09/202165109.db2.gz JRCXDDVPFVHGRS-ZRZAMGCNSA-N 0 3 344.433 5.243 1 0 EKAFHN Fc1ccccc1CCC1=N[C@H](c2ccccc2)[C@H](c2ccccc2)N1 ZINC000028119912 202166027 /nfs/dbraw/zinc/16/60/27/202166027.db2.gz BJMYKJMKKNFOSC-ZRZAMGCNSA-N 0 3 344.433 5.243 1 0 EKAFHN C[C@@H](Cc1ccccc1)C1=N[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1 ZINC000028124276 202165677 /nfs/dbraw/zinc/16/56/77/202165677.db2.gz JFCKACVLYQVVKW-OFAXGOBFSA-N 0 3 340.470 5.350 1 0 EKAFHN FC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1 ZINC000028878407 212641907 /nfs/dbraw/zinc/64/19/07/212641907.db2.gz HIFGIGWFWSVOEK-UHFFFAOYSA-N 0 3 342.845 5.282 1 0 EKAFHN c1ccc(CCCCN2[C@@H]3CCC[C@H]2c2c4ccccc4[nH]c2C3)cc1 ZINC000029251246 202184301 /nfs/dbraw/zinc/18/43/01/202184301.db2.gz OPUKVGUEIVRYRA-XXBNENTESA-N 0 3 344.502 5.643 1 0 EKAFHN Cc1cc(C)cc(Nc2cc(-n3ccnc3-c3ccccc3)ccn2)c1 ZINC000029407888 202186525 /nfs/dbraw/zinc/18/65/25/202186525.db2.gz YGYZFNQCPIDEBI-UHFFFAOYSA-N 0 3 340.430 5.295 1 0 EKAFHN COc1ccc2c(c1)[C@@H](N(C)C)C[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000029483324 202188106 /nfs/dbraw/zinc/18/81/06/202188106.db2.gz WJBOEJSDTQYWJJ-KSSFIOAISA-N 0 3 336.262 5.140 1 0 EKAFHN CN1CCCC[C@@H]1c1cc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1 ZINC000036161054 213073809 /nfs/dbraw/zinc/07/38/09/213073809.db2.gz RDCAIAQIDQZKDR-HXUWFJFHSA-N 0 3 335.426 5.040 1 0 EKAFHN CN1CCCC[C@H]1c1cc(-c2ccncc2)c(-c2ccc(F)cc2)[nH]1 ZINC000036161059 202318005 /nfs/dbraw/zinc/31/80/05/202318005.db2.gz RDCAIAQIDQZKDR-FQEVSTJZSA-N 0 3 335.426 5.040 1 0 EKAFHN CN1CCC(=C2c3ccccc3-c3cocc3-c3ccccc32)CC1 ZINC000039215291 213231341 /nfs/dbraw/zinc/23/13/41/213231341.db2.gz MHSYODWGVROAKD-UHFFFAOYSA-N 0 3 327.427 5.455 1 0 EKAFHN Cc1occ2c1-c1ccccc1C(=C1CCN(C)CC1)c1ccccc1-2 ZINC000039215292 213231669 /nfs/dbraw/zinc/23/16/69/213231669.db2.gz ZHSOHJFZYPTQPN-UHFFFAOYSA-N 0 3 341.454 5.763 1 0 EKAFHN CN(C)CCSC1=Cc2ccccc2Sc2ccc(Cl)cc21 ZINC000039291683 213232737 /nfs/dbraw/zinc/23/27/37/213232737.db2.gz JGFGBIYSEHXJHX-UHFFFAOYSA-N 0 3 347.936 5.598 1 0 EKAFHN CNCc1cc(F)c(Cl)cc1Oc1ccc(Cl)c(Cl)c1 ZINC000040380195 213294800 /nfs/dbraw/zinc/29/48/00/213294800.db2.gz COWKMDDTQXILJL-UHFFFAOYSA-N 0 3 334.605 5.298 1 0 EKAFHN Clc1cccc(CCNc2c3ccccc3nc3c2CCCC3)c1 ZINC000040822771 213390346 /nfs/dbraw/zinc/39/03/46/213390346.db2.gz SWCOEICIIYHDQX-UHFFFAOYSA-N 0 3 336.866 5.422 1 0 EKAFHN CNCc1ccc(Cl)cc1Oc1ccc(F)c(C(F)(F)F)c1 ZINC000040845428 213392677 /nfs/dbraw/zinc/39/26/77/213392677.db2.gz GHUHMNXJEGXLAR-UHFFFAOYSA-N 0 3 333.712 5.010 1 0 EKAFHN Cc1ccc(CN(C2CCCC2)[C@@H]2CCC(=O)c3ccccc32)cc1 ZINC000040847336 213393261 /nfs/dbraw/zinc/39/32/61/213393261.db2.gz RXHLAALOQHJKHJ-JOCHJYFZSA-N 0 3 333.475 5.457 1 0 EKAFHN Cc1ccc(CN(C2CCCC2)[C@H]2CCC(=O)c3ccccc32)cc1 ZINC000040847338 213392803 /nfs/dbraw/zinc/39/28/03/213392803.db2.gz RXHLAALOQHJKHJ-QFIPXVFZSA-N 0 3 333.475 5.457 1 0 EKAFHN CCn1c2ccncc2c2cc(NC(=O)c3ccccc3Cl)ccc21 ZINC000040881428 213397303 /nfs/dbraw/zinc/39/73/03/213397303.db2.gz KTGUQWICDSZKDX-UHFFFAOYSA-N 0 3 349.821 5.115 1 0 EKAFHN CCCCCCOc1cc(Cl)c(C(=O)CCN(C)C)c(Cl)c1 ZINC000043013435 581093891 /nfs/dbraw/zinc/09/38/91/581093891.db2.gz WOYFBAZSRVABGK-UHFFFAOYSA-N 0 3 346.298 5.087 1 0 EKAFHN CCCCCCOc1cc(Cl)c(C(=O)CCN(C)C)cc1Cl ZINC000043060305 581093952 /nfs/dbraw/zinc/09/39/52/581093952.db2.gz BSXKQZASVPAQPC-UHFFFAOYSA-N 0 3 346.298 5.087 1 0 EKAFHN Cc1ccc([C@@H]2Cc3ccccc3N=C(c3ccccc3)N2C)cc1 ZINC000049616017 214022791 /nfs/dbraw/zinc/02/27/91/214022791.db2.gz RIDODIRIOLRCAA-QFIPXVFZSA-N 0 3 326.443 5.303 1 0 EKAFHN Cc1ccc([C@H]2Cc3ccccc3N=C(c3ccccc3)N2C)cc1 ZINC000049616018 214022977 /nfs/dbraw/zinc/02/29/77/214022977.db2.gz RIDODIRIOLRCAA-JOCHJYFZSA-N 0 3 326.443 5.303 1 0 EKAFHN CN1C(c2ccccc2)=Nc2ccccc2C[C@H]1c1ccc(F)cc1 ZINC000049616180 214022423 /nfs/dbraw/zinc/02/24/23/214022423.db2.gz FJFBHWSSMKSEGM-NRFANRHFSA-N 0 3 330.406 5.133 1 0 EKAFHN CN1C(c2ccccc2)=Nc2ccccc2C[C@@H]1c1ccc(F)cc1 ZINC000049616182 214022241 /nfs/dbraw/zinc/02/22/41/214022241.db2.gz FJFBHWSSMKSEGM-OAQYLSRUSA-N 0 3 330.406 5.133 1 0 EKAFHN COc1ccc([C@@H]2Cc3ccccc3N=C(c3ccccc3)N2C)cc1 ZINC000049625867 214022638 /nfs/dbraw/zinc/02/26/38/214022638.db2.gz IFNDDKOQSXJXPR-QFIPXVFZSA-N 0 3 342.442 5.003 1 0 EKAFHN COc1ccc([C@H]2Cc3ccccc3N=C(c3ccccc3)N2C)cc1 ZINC000049625868 214022631 /nfs/dbraw/zinc/02/26/31/214022631.db2.gz IFNDDKOQSXJXPR-JOCHJYFZSA-N 0 3 342.442 5.003 1 0 EKAFHN CN1C(c2ccccc2)=Nc2ccccc2C[C@H]1c1ccc(Cl)cc1 ZINC000049639738 214023942 /nfs/dbraw/zinc/02/39/42/214023942.db2.gz FGCYFIUERHLCCY-NRFANRHFSA-N 0 3 346.861 5.648 1 0 EKAFHN CN1C(c2ccccc2)=Nc2ccccc2C[C@@H]1c1ccc(Cl)cc1 ZINC000049639739 214023985 /nfs/dbraw/zinc/02/39/85/214023985.db2.gz FGCYFIUERHLCCY-OAQYLSRUSA-N 0 3 346.861 5.648 1 0 EKAFHN S=c1cc(-c2ccc(OCCN3CCCCC3)cc2)ss1 ZINC000053243591 214172595 /nfs/dbraw/zinc/17/25/95/214172595.db2.gz JNDIPRUEFOVVMH-UHFFFAOYSA-N 0 3 337.535 5.071 1 0 EKAFHN Nc1ncc(-c2ccc(-c3ccccc3)cc2)n1C1CCCCCC1 ZINC000066100812 215010082 /nfs/dbraw/zinc/01/00/82/215010082.db2.gz ZTRFSLMQEIXZAA-UHFFFAOYSA-N 0 3 331.463 5.695 1 0 EKAFHN Nc1ncc(-c2ccc(-c3ccccc3)cc2)n1C1CCCCCCC1 ZINC000066101968 215011365 /nfs/dbraw/zinc/01/13/65/215011365.db2.gz YNLCDIVRFQTKLZ-UHFFFAOYSA-N 0 3 345.490 6.085 1 0 EKAFHN Clc1ccc(C2(CN3CCCCC3)CCCCC2)cc1Cl ZINC000066136529 215015948 /nfs/dbraw/zinc/01/59/48/215015948.db2.gz QQKNLGCYRCQFQP-UHFFFAOYSA-N 0 3 326.311 5.681 1 0 EKAFHN C[C@@H]1[C@H]2C[C@@H](C[C@@H]1NCc1coc(-c3ccc(Cl)cc3)n1)C2(C)C ZINC000072102732 216008287 /nfs/dbraw/zinc/00/82/87/216008287.db2.gz BANXIWRAPAPGFE-OLUCIUBSSA-N 0 3 344.886 5.155 1 0 EKAFHN C[C@@H]1[C@H]2C[C@@H](C[C@H]1NCc1coc(-c3ccc(Cl)cc3)n1)C2(C)C ZINC000072102733 216008037 /nfs/dbraw/zinc/00/80/37/216008037.db2.gz BANXIWRAPAPGFE-KBEZCGTCSA-N 0 3 344.886 5.155 1 0 EKAFHN CCCCC[C@@H](C)NCc1coc(-c2ccc(OCCCC)cc2)n1 ZINC000072103866 203162697 /nfs/dbraw/zinc/16/26/97/203162697.db2.gz CYFVZMRZYLRIRG-QGZVFWFLSA-N 0 3 344.499 5.579 1 0 EKAFHN CCCCC[C@@H](C)NCc1coc(-c2c(Cl)cccc2Cl)n1 ZINC000072180196 203182918 /nfs/dbraw/zinc/18/29/18/203182918.db2.gz UZJCCYPOZJKGLC-GFCCVEGCSA-N 0 3 341.282 5.707 1 0 EKAFHN CCCCC[C@H](C)NCc1coc(-c2c(Cl)cccc2Cl)n1 ZINC000072180197 203181949 /nfs/dbraw/zinc/18/19/49/203181949.db2.gz UZJCCYPOZJKGLC-LBPRGKRZSA-N 0 3 341.282 5.707 1 0 EKAFHN C[C@H](NCc1coc(-c2ccc(Cl)cc2Cl)n1)C(C)(C)C ZINC000072180289 216065784 /nfs/dbraw/zinc/06/57/84/216065784.db2.gz HOWHTZZMBNDYEO-JTQLQIEISA-N 0 3 327.255 5.173 1 0 EKAFHN C[C@@H](NCc1coc(-c2ccc(Cl)cc2Cl)n1)C(C)(C)C ZINC000072180290 216065763 /nfs/dbraw/zinc/06/57/63/216065763.db2.gz HOWHTZZMBNDYEO-SNVBAGLBSA-N 0 3 327.255 5.173 1 0 EKAFHN Clc1ccccc1-c1nc(CN2CC[C@@H]3CCCC[C@@H]3C2)co1 ZINC000072180627 216066096 /nfs/dbraw/zinc/06/60/96/216066096.db2.gz XVZJUGJINNLDBY-LSDHHAIUSA-N 0 3 330.859 5.007 1 0 EKAFHN Clc1ccccc1-c1nc(CN2CC[C@H]3CCCC[C@@H]3C2)co1 ZINC000072180628 203182180 /nfs/dbraw/zinc/18/21/80/203182180.db2.gz XVZJUGJINNLDBY-HUUCEWRRSA-N 0 3 330.859 5.007 1 0 EKAFHN c1oc(-c2cccc3ccccc32)nc1CN1CC[C@@H]2CCCC[C@@H]2C1 ZINC000072180894 216065611 /nfs/dbraw/zinc/06/56/11/216065611.db2.gz PWVISLDROKLOPJ-PKOBYXMFSA-N 0 3 346.474 5.507 1 0 EKAFHN c1oc(-c2cccc3ccccc32)nc1CN1CC[C@H]2CCCC[C@@H]2C1 ZINC000072180895 216065697 /nfs/dbraw/zinc/06/56/97/216065697.db2.gz PWVISLDROKLOPJ-IEBWSBKVSA-N 0 3 346.474 5.507 1 0 EKAFHN CCCCC[C@@H](C)NCc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000072181520 216066881 /nfs/dbraw/zinc/06/68/81/216066881.db2.gz ZWLVXRHTKNUQRZ-CYBMUJFWSA-N 0 3 340.389 5.419 1 0 EKAFHN CCCCC[C@H](C)NCc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000072181521 203182268 /nfs/dbraw/zinc/18/22/68/203182268.db2.gz ZWLVXRHTKNUQRZ-ZDUSSCGKSA-N 0 3 340.389 5.419 1 0 EKAFHN CCCCC[C@@H](C)NCc1coc(-c2ccc(Cl)cc2Cl)n1 ZINC000072182288 216067137 /nfs/dbraw/zinc/06/71/37/216067137.db2.gz SBNSYUQDVQZGKA-GFCCVEGCSA-N 0 3 341.282 5.707 1 0 EKAFHN CCCCC[C@@H](C)NCc1coc(-c2ccc(OCCC)cc2)n1 ZINC000072182343 216067127 /nfs/dbraw/zinc/06/71/27/216067127.db2.gz INAOUISPJXBTRG-MRXNPFEDSA-N 0 3 330.472 5.189 1 0 EKAFHN CCCCCC[C@H]1Cc2c(Cl)cccc2[C@@H](c2ccccc2)N1 ZINC000072183156 216067558 /nfs/dbraw/zinc/06/75/58/216067558.db2.gz XFZPZSZFJDXOFG-LAUBAEHRSA-N 0 3 327.899 5.914 1 0 EKAFHN CC(C)(C)c1ccc(-c2nc(CNC3CCCCCC3)co2)cc1 ZINC000072183220 216067621 /nfs/dbraw/zinc/06/76/21/216067621.db2.gz HXPGIYFTZVFNND-UHFFFAOYSA-N 0 3 326.484 5.452 1 0 EKAFHN C[C@H]1C[C@H](NCc2coc(-c3sccc3Cl)n2)CC(C)(C)C1 ZINC000072183890 216067445 /nfs/dbraw/zinc/06/74/45/216067445.db2.gz TZPLRLKMTNURFL-RYUDHWBXSA-N 0 3 338.904 5.361 1 0 EKAFHN C[C@@H]1C[C@@H](NCc2coc(-c3sccc3Cl)n2)CC(C)(C)C1 ZINC000072183891 216067780 /nfs/dbraw/zinc/06/77/80/216067780.db2.gz TZPLRLKMTNURFL-VXGBXAGGSA-N 0 3 338.904 5.361 1 0 EKAFHN CCCCC[C@@H](C)NCc1coc(-c2ccc(-c3ccccc3)cc2)n1 ZINC000072184110 203183341 /nfs/dbraw/zinc/18/33/41/203183341.db2.gz HNFXQYHDBDKWDZ-GOSISDBHSA-N 0 3 348.490 6.067 1 0 EKAFHN CCCCC[C@H](C)NCc1coc(-c2ccc(-c3ccccc3)cc2)n1 ZINC000072184111 216067707 /nfs/dbraw/zinc/06/77/07/216067707.db2.gz HNFXQYHDBDKWDZ-SFHVURJKSA-N 0 3 348.490 6.067 1 0 EKAFHN CCCCC[C@@H](C)NCc1coc(-c2cc3ccccc3s2)n1 ZINC000072184333 216067100 /nfs/dbraw/zinc/06/71/00/216067100.db2.gz QZTXOTDBHJYWOM-CQSZACIVSA-N 0 3 328.481 5.615 1 0 EKAFHN C[C@@H]1C[C@H](NCc2coc(-c3ccc(Cl)cc3)n2)CC(C)(C)C1 ZINC000072185008 216067261 /nfs/dbraw/zinc/06/72/61/216067261.db2.gz KJSWVLBIPGDZQQ-CJNGLKHVSA-N 0 3 332.875 5.299 1 0 EKAFHN C[C@H]1C[C@H](NCc2coc(-c3ccc(Cl)cc3)n2)CC(C)(C)C1 ZINC000072185009 216067787 /nfs/dbraw/zinc/06/77/87/216067787.db2.gz KJSWVLBIPGDZQQ-BBRMVZONSA-N 0 3 332.875 5.299 1 0 EKAFHN C[C@@H]1C[C@@H](NCc2coc(-c3ccc(Cl)cc3)n2)CC(C)(C)C1 ZINC000072185010 203183587 /nfs/dbraw/zinc/18/35/87/203183587.db2.gz KJSWVLBIPGDZQQ-CZUORRHYSA-N 0 3 332.875 5.299 1 0 EKAFHN C[C@H]1C[C@@H](NCc2coc(-c3ccc(Cl)cc3)n2)CC(C)(C)C1 ZINC000072185011 203183299 /nfs/dbraw/zinc/18/32/99/203183299.db2.gz KJSWVLBIPGDZQQ-XJKSGUPXSA-N 0 3 332.875 5.299 1 0 EKAFHN CCCCC[C@H](C)NCc1coc(-c2ccc(C(C)(C)C)cc2)n1 ZINC000072185811 216067092 /nfs/dbraw/zinc/06/70/92/216067092.db2.gz HSMVGFCHIJPNRL-INIZCTEOSA-N 0 3 328.500 5.698 1 0 EKAFHN c1oc(-c2ccc(-c3ccccc3)cc2)nc1CNC1CCCCCC1 ZINC000072186013 203183273 /nfs/dbraw/zinc/18/32/73/203183273.db2.gz KKRGMIDETXDDGH-UHFFFAOYSA-N 0 3 346.474 5.821 1 0 EKAFHN C[C@@H]1CCC[C@H](NCc2coc(-c3cccc4ccccc43)n2)[C@@H]1C ZINC000072186226 203183187 /nfs/dbraw/zinc/18/31/87/203183187.db2.gz SGASSMMBMACOAI-ZOCZFRKYSA-N 0 3 334.463 5.409 1 0 EKAFHN C[C@@H]1[C@@H](C)CCC[C@@H]1NCc1coc(-c2cccc3ccccc32)n1 ZINC000072186227 216067792 /nfs/dbraw/zinc/06/77/92/216067792.db2.gz SGASSMMBMACOAI-MRUHUIDDSA-N 0 3 334.463 5.409 1 0 EKAFHN Clc1ccc(-c2nc(CNC34CC5CC(CC(C5)C3)C4)co2)cc1 ZINC000072186437 216067810 /nfs/dbraw/zinc/06/78/10/216067810.db2.gz RCGCEJNYLDZZJB-UHFFFAOYSA-N 0 3 342.870 5.053 1 0 EKAFHN CCCCC[C@@H](C)NCc1coc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000072186540 216068270 /nfs/dbraw/zinc/06/82/70/216068270.db2.gz IXGYRNWLRLWQQQ-GFCCVEGCSA-N 0 3 341.282 5.707 1 0 EKAFHN CCCCC[C@H](C)NCc1coc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000072186541 216068503 /nfs/dbraw/zinc/06/85/03/216068503.db2.gz IXGYRNWLRLWQQQ-LBPRGKRZSA-N 0 3 341.282 5.707 1 0 EKAFHN Nc1c2cc(-c3ccccc3)n(-c3ccccc3)c2nc2c1CCCC2 ZINC000073196665 216361824 /nfs/dbraw/zinc/36/18/24/216361824.db2.gz VRGOOLXPHWCIIA-UHFFFAOYSA-N 0 3 339.442 5.154 1 0 EKAFHN CCCCNc1cc(-c2ccccc2)nc2cc(OC)cc(OC)c21 ZINC000098085122 219081004 /nfs/dbraw/zinc/08/10/04/219081004.db2.gz PDUABDJEEBIIKK-UHFFFAOYSA-N 0 3 336.435 5.131 1 0 EKAFHN CC1=Nc2ccccc2C[C@H](c2ccccc2)N1Cc1ccccc1 ZINC000100886814 219110273 /nfs/dbraw/zinc/11/02/73/219110273.db2.gz GCUVYGOQNQYJRC-HSZRJFAPSA-N 0 3 326.443 5.536 1 0 EKAFHN Clc1ccc(/C=C2\CCN3Cc4ccccc4N=C23)cc1Cl ZINC000101007221 219113993 /nfs/dbraw/zinc/11/39/93/219113993.db2.gz ULTBPYKLRDZXQT-UKTHLTGXSA-N 0 3 329.230 5.326 1 0 EKAFHN C(=C1\CCN2Cc3ccccc3N=C12)\c1ccccc1-c1ccccc1 ZINC000101010783 204000863 /nfs/dbraw/zinc/00/08/63/204000863.db2.gz JOADMKLFYKUSJD-CAPFRKAQSA-N 0 3 336.438 5.687 1 0 EKAFHN Cc1ccc(C[C@@]2(OCCN(C)C)CC[C@H](C(C)(C)C)CC2)cc1 ZINC000102942697 219242107 /nfs/dbraw/zinc/24/21/07/219242107.db2.gz CFWGNVBFLHVDSZ-AQYVVDRMSA-N 0 3 331.544 5.091 1 0 EKAFHN Cc1ccc(C[C@@]2(OCCN(C)C)CC[C@@H](C(C)(C)C)CC2)cc1 ZINC000102983364 204057442 /nfs/dbraw/zinc/05/74/42/204057442.db2.gz CFWGNVBFLHVDSZ-GRGXKFILSA-N 0 3 331.544 5.091 1 0 EKAFHN CC(C)(C)N[C@H](c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1 ZINC000103258675 204071086 /nfs/dbraw/zinc/07/10/86/204071086.db2.gz PCJDDIHNGFLMPX-IBGZPJMESA-N 0 3 339.870 5.208 1 0 EKAFHN CC(C)(C)N[C@@H](c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1 ZINC000103258677 219278240 /nfs/dbraw/zinc/27/82/40/219278240.db2.gz PCJDDIHNGFLMPX-LJQANCHMSA-N 0 3 339.870 5.208 1 0 EKAFHN CC(C)N[C@H](c1ccc(Cl)cc1)c1ccc(-c2ccncc2)cc1 ZINC000103265734 219279261 /nfs/dbraw/zinc/27/92/61/219279261.db2.gz OWJDEPLXSNLLNS-NRFANRHFSA-N 0 3 336.866 5.489 1 0 EKAFHN CC(C)N[C@@H](c1ccc(Cl)cc1)c1ccc(-c2ccncc2)cc1 ZINC000103265737 219279447 /nfs/dbraw/zinc/27/94/47/219279447.db2.gz OWJDEPLXSNLLNS-OAQYLSRUSA-N 0 3 336.866 5.489 1 0 EKAFHN CC(C)CN[C@H](c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1 ZINC000103265778 219278584 /nfs/dbraw/zinc/27/85/84/219278584.db2.gz XFSCRCQNAKRXLP-FQEVSTJZSA-N 0 3 339.870 5.065 1 0 EKAFHN CC(C)CN[C@@H](c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1 ZINC000103265779 219278744 /nfs/dbraw/zinc/27/87/44/219278744.db2.gz XFSCRCQNAKRXLP-HXUWFJFHSA-N 0 3 339.870 5.065 1 0 EKAFHN