smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(Cc1ccc(F)cc1)CC1=CC[C@H]2C[C@@H]1C2(C)C ZINC000095563706 185009961 /nfs/dbraw/zinc/00/99/61/185009961.db2.gz APCTUEIYSPKDSY-RDJZCZTQSA-N 0 3 273.395 4.250 1 0 CIAFHN CCCCN[C@H](C)c1cc2c(cc1OC)OC(C)(C)C=C2 ZINC000096932081 185132421 /nfs/dbraw/zinc/13/24/21/185132421.db2.gz BVARUCMUZAWQLP-CYBMUJFWSA-N 0 3 289.419 4.330 1 0 CIAFHN CN([C@@H]1CC(=O)c2ccccc21)[C@H]1CCCc2ccccc21 ZINC000045245083 175336345 /nfs/dbraw/zinc/33/63/45/175336345.db2.gz HPQRVPSYMLEDSN-RBUKOAKNSA-N 0 3 291.394 4.324 1 0 CIAFHN CC[C@H](NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000045245561 175336456 /nfs/dbraw/zinc/33/64/56/175336456.db2.gz JYBXLCIZWPNCMU-LBPRGKRZSA-N 0 3 288.218 4.343 1 0 in-vivo CIAFHN CCC(CC)CNCc1coc(-c2cccc(F)c2)n1 ZINC000072101737 176315890 /nfs/dbraw/zinc/31/58/90/176315890.db2.gz OCQSLEJLGILISY-UHFFFAOYSA-N 0 3 276.355 4.007 1 0 CIAFHN Cc1ccc(-c2nc(CN[C@@H](C)C(C)(C)C)co2)cc1 ZINC000072102824 176316053 /nfs/dbraw/zinc/31/60/53/176316053.db2.gz SBYPFUNMXMZPGM-ZDUSSCGKSA-N 0 3 272.392 4.174 1 0 CIAFHN Cc1ccccc1-c1nc(CN2C[C@@H](C)C[C@H](C)C2)co1 ZINC000072182356 176335105 /nfs/dbraw/zinc/33/51/05/176335105.db2.gz SYVXUHWAORZMSI-KBPBESRZSA-N 0 3 284.403 4.128 1 0 CIAFHN CC1CCC(NCc2coc(-c3ccccc3F)n2)CC1 ZINC000072182183 176335201 /nfs/dbraw/zinc/33/52/01/176335201.db2.gz UVCLPLQMIVUYIU-UHFFFAOYSA-N 0 3 288.366 4.149 1 0 CIAFHN Cc1ccccc1-c1nc(CN2C[C@H](C)C[C@@H](C)C2)co1 ZINC000072182357 176335230 /nfs/dbraw/zinc/33/52/30/176335230.db2.gz SYVXUHWAORZMSI-ZIAGYGMSSA-N 0 3 284.403 4.128 1 0 CIAFHN Cc1ccccc1-c1nc(CN2[C@H](C)CCC[C@@H]2C)co1 ZINC000072185088 176335673 /nfs/dbraw/zinc/33/56/73/176335673.db2.gz UGBGTOBVMSHFBQ-GASCZTMLSA-N 0 3 284.403 4.413 1 0 CIAFHN CC[C@@]12CCCN(C1)CCc1c3ccccc3[nH]c1CC2 ZINC000014684594 571719779 /nfs/dbraw/zinc/71/97/79/571719779.db2.gz FDNDLNFGITWTOZ-IBGZPJMESA-N 0 3 282.431 4.149 1 0 endogenous,in-man CIAFHN CN(Cc1ccccc1)CC1=CC[C@H]2C[C@@H]1C2(C)C ZINC000095560520 185009378 /nfs/dbraw/zinc/00/93/78/185009378.db2.gz RJSUBBPCRCVWNC-IRXDYDNUSA-N 0 3 255.405 4.111 1 0 CIAFHN CC1(C)[C@@H]2C[C@H]1C(CN1CCc3ccccc3C1)=CC2 ZINC000095559916 185009692 /nfs/dbraw/zinc/00/96/92/185009692.db2.gz BRXMGIBHAGPOLM-ROUUACIJSA-N 0 3 267.416 4.037 1 0 CIAFHN CN1CCC2=C(CC1)c1ccccc1N(C)c1ccccc12 ZINC000001482057 169709545 /nfs/dbraw/zinc/70/95/45/169709545.db2.gz SGMXCAKSGHLWBE-UHFFFAOYSA-N 0 3 290.410 4.404 1 0 in-man CIAFHN C[C@]12N[C@H](Cc3c4ccccc4ccc31)c1ccccc12 ZINC000028757545 171572864 /nfs/dbraw/zinc/57/28/64/171572864.db2.gz NJEBIXHGDABDOI-WOJBJXKFSA-N 0 3 271.363 4.304 1 0 CIAFHN CC[C@H](C)CNc1[nH]ccc2nc3ccccc3c1-2 ZINC000040431030 174259813 /nfs/dbraw/zinc/25/98/13/174259813.db2.gz YZWMTFORQSIEAP-NSHDSACASA-N 0 3 253.349 4.174 1 0 CIAFHN CCCCCCOc1ccc(C(=O)CCN(C)C)cc1C ZINC000042921134 174916901 /nfs/dbraw/zinc/91/69/01/174916901.db2.gz RUFSECUHDDYXQH-UHFFFAOYSA-N 0 3 291.435 4.089 1 0 CIAFHN CN1CCC=C(c2ccc(Oc3ccccc3)cc2)C1 ZINC000045337382 175360730 /nfs/dbraw/zinc/36/07/30/175360730.db2.gz QZZNHTYXVGAYMS-UHFFFAOYSA-N 0 3 265.356 4.198 1 0 CIAFHN FC(F)(F)c1cccc(-c2ccc3c(c2)CCNC3)c1 ZINC000071341537 176130416 /nfs/dbraw/zinc/13/04/16/176130416.db2.gz XQPGJRYJIUWYCG-UHFFFAOYSA-N 0 3 277.289 4.018 1 0 CIAFHN c1oc(-c2ccccc2)nc1CN1CC[C@@H]2CCCC[C@@H]2C1 ZINC000072103217 176315693 /nfs/dbraw/zinc/31/56/93/176315693.db2.gz AIQMYYPHRQPERI-DOTOQJQBSA-N 0 3 296.414 4.354 1 0 CIAFHN c1ccc(CN[C@]23CCC[C@@H]2Cc2ccccc23)cc1 ZINC000027734659 171530643 /nfs/dbraw/zinc/53/06/43/171530643.db2.gz ATFGXWDZCYNAFZ-IEBWSBKVSA-N 0 3 263.384 4.028 1 0 CIAFHN CCCCC[C@H](C)NCc1coc(-c2ccccc2O)n1 ZINC000072102284 176315927 /nfs/dbraw/zinc/31/59/27/176315927.db2.gz UFYIEMXKBWIDAF-ZDUSSCGKSA-N 0 3 288.391 4.106 1 0 CIAFHN c1oc(-c2ccccc2)nc1CN1CC[C@H]2CCCC[C@@H]2C1 ZINC000072103218 176316027 /nfs/dbraw/zinc/31/60/27/176316027.db2.gz AIQMYYPHRQPERI-NVXWUHKLSA-N 0 3 296.414 4.354 1 0 CIAFHN Cc1cccc(Cn2c3ccccc3nc2[C@@H](N)C(C)C)c1 ZINC000072114607 176318306 /nfs/dbraw/zinc/31/83/06/176318306.db2.gz BLQMEUJBVHQZJI-SFHVURJKSA-N 0 3 293.414 4.049 1 0 CIAFHN CN1Cc2ccccc2[C@H](c2ccc(Cl)c(F)c2)C1 ZINC000095560359 185009189 /nfs/dbraw/zinc/00/91/89/185009189.db2.gz FZJAPDJONFNIEV-AWEZNQCLSA-N 0 3 275.754 4.056 1 0 CIAFHN C(\c1ccc(-c2ccccc2)cc1)=C1\CN2CCC1CC2 ZINC000001537811 169712112 /nfs/dbraw/zinc/71/21/12/169712112.db2.gz RTFHBXLCOFNPOR-XSFVSMFZSA-N 0 3 275.395 4.463 1 0 CIAFHN C=Cc1ccc(Sc2ccccc2CN(C)C)c(N)c1 ZINC000013646002 170572926 /nfs/dbraw/zinc/57/29/26/170572926.db2.gz ROARIPXQVCVHPS-UHFFFAOYSA-N 0 3 284.428 4.125 1 0 CIAFHN CC(C)=CCN1c2ccccc2[C@]2(CC=C(C)C)CCN[C@H]12 ZINC000038329142 174139744 /nfs/dbraw/zinc/13/97/44/174139744.db2.gz TWRZIFGLJFJQJK-UXHICEINSA-N 0 3 296.458 4.386 1 0 in-vivo CIAFHN CC[C@@H](NC(C)(C)C)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000045245562 175336428 /nfs/dbraw/zinc/33/64/28/175336428.db2.gz JYBXLCIZWPNCMU-GFCCVEGCSA-N 0 3 288.218 4.343 1 0 in-vivo CIAFHN CC(C)C[C@@H](NC(C)(C)C)C(=O)c1cccc(Cl)c1 ZINC000045253933 175336583 /nfs/dbraw/zinc/33/65/83/175336583.db2.gz WEKVVEUCXILQOT-CQSZACIVSA-N 0 3 281.827 4.326 1 0 in-vitro CIAFHN CN1C[C@@H]2CCCC[C@]2(c2ccc(Cl)cc2Cl)C1 ZINC000072113093 176317555 /nfs/dbraw/zinc/31/75/55/176317555.db2.gz FCMFWPCHZOKPLR-NHYWBVRUSA-N 0 3 284.230 4.367 1 0 CIAFHN CCCCC[C@H](C)NCc1cc(-c2ccccc2)on1 ZINC000072184127 176335049 /nfs/dbraw/zinc/33/50/49/176335049.db2.gz DXNFBYYWFIBVHO-AWEZNQCLSA-N 0 3 272.392 4.400 1 0 CIAFHN Clc1ccc(-c2nc(CNC3CCCCC3)co2)cc1 ZINC000072184284 176335292 /nfs/dbraw/zinc/33/52/92/176335292.db2.gz YTCCRRSGDGUGSB-UHFFFAOYSA-N 0 3 290.794 4.417 1 0 CIAFHN CCCCC[C@@H](C)NCc1cc(-c2ccccc2)on1 ZINC000072184126 176335363 /nfs/dbraw/zinc/33/53/63/176335363.db2.gz DXNFBYYWFIBVHO-CQSZACIVSA-N 0 3 272.392 4.400 1 0 CIAFHN CN(C)[C@@H]1CCN2c3ccccc3Sc3cccc1c32 ZINC000055646876 522056169 /nfs/dbraw/zinc/05/61/69/522056169.db2.gz XGYHDRUNNACRFL-CYBMUJFWSA-N 0 3 282.412 4.296 1 0 CIAFHN CC1=C[C@H]2Cc3nc4cc(Cl)ccc4c(N)c3[C@@H](C1)C2 ZINC000013835505 581091707 /nfs/dbraw/zinc/09/17/07/581091707.db2.gz UKCBMHDZLYYTMI-MNOVXSKESA-N 0 3 284.790 4.466 1 0 in-vivo CIAFHN c1ccc2c(c1)[C@@H]1CC3C[C@H]2CC(N2CCCCC2)(C1)O3 ZINC000045338876 175361146 /nfs/dbraw/zinc/36/11/46/175361146.db2.gz NVIWIVUMBOPMRK-JOUKPKRSSA-N 0 3 283.415 4.022 1 0 CIAFHN Cc1cccc(C)c1-c1cccc(SCCN(C)C)n1 ZINC000045355187 175362006 /nfs/dbraw/zinc/36/20/06/175362006.db2.gz CCRVVFQJXRBXDH-UHFFFAOYSA-N 0 3 286.444 4.019 1 0 CIAFHN CN(C)CCSc1cccc(-c2ccccc2)c1 ZINC000045366148 175362650 /nfs/dbraw/zinc/36/26/50/175362650.db2.gz NDJKJLMJAGRKRK-UHFFFAOYSA-N 0 3 257.402 4.007 1 0 in-vivo CIAFHN Cc1cc2ccc3c(c2o1)-c1cccc2c1[C@@H](C3)N(C)CC2 ZINC000045375142 175365963 /nfs/dbraw/zinc/36/59/63/175365963.db2.gz RUWAMTNSIGQJMG-QGZVFWFLSA-N 0 3 289.378 4.493 1 0 in-vitro CIAFHN CCN(CC)C12C[C@H]3CC(C)(C[C@@H](C1)c1ccccc13)O2 ZINC000045391827 175375535 /nfs/dbraw/zinc/37/55/35/175375535.db2.gz PYKNOOSVGBENNG-MYMYQCDVSA-N 0 3 285.431 4.268 1 0 CIAFHN COc1cc2c(cc1[C@H](C)N1CCCC1)C=CC(C)(C)O2 ZINC000096932099 185132316 /nfs/dbraw/zinc/13/23/16/185132316.db2.gz KIKBEQTUAIDKPB-ZDUSSCGKSA-N 0 3 287.403 4.036 1 0 CIAFHN CCc1cccc(N(C)C(=N)Nc2ccc(Cl)cc2)c1 ZINC000013776036 170592645 /nfs/dbraw/zinc/59/26/45/170592645.db2.gz IQDQTHYUBCFPCO-UHFFFAOYSA-N 0 3 287.794 4.385 1 0 CIAFHN Cn1cc(SC2CCN(C)CC2)c2cc(Cl)ccc21 ZINC000027886929 171536707 /nfs/dbraw/zinc/53/67/07/171536707.db2.gz UPLRENUYRIMWRF-UHFFFAOYSA-N 0 3 294.851 4.018 1 0 CIAFHN C[C@@H]1c2c(N)c3ccccc3nc2[C@H]2C[C@@H]1C2(C)C ZINC000045253292 175336633 /nfs/dbraw/zinc/33/66/33/175336633.db2.gz KZKATSIFLDWESA-ZMLRMANQSA-N 0 3 252.361 4.064 1 0 CIAFHN CCCCc1ccc(-c2nc(CNCCC)co2)cc1 ZINC000072180904 176334863 /nfs/dbraw/zinc/33/48/63/176334863.db2.gz SYMZBRXFHCZEOS-UHFFFAOYSA-N 0 3 272.392 4.184 1 0 CIAFHN COc1cc2c(cc1[C@@H](C)N1CCCC1)C=CC(C)(C)O2 ZINC000096932101 185132224 /nfs/dbraw/zinc/13/22/24/185132224.db2.gz KIKBEQTUAIDKPB-CYBMUJFWSA-N 0 3 287.403 4.036 1 0 CIAFHN C[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H](C)C1(C)O ZINC000005720883 170132680 /nfs/dbraw/zinc/13/26/80/170132680.db2.gz PPULLACTYCCYOK-BOECGJLKSA-N 0 3 295.426 4.095 1 0 CIAFHN CN(C)[C@@H]1C[C@H](c2ccc(F)cc2)c2ccc(F)cc21 ZINC000029481331 171600396 /nfs/dbraw/zinc/60/03/96/171600396.db2.gz JOESEFFNJUCYQM-NVXWUHKLSA-N 0 3 273.326 4.103 1 0 CIAFHN c1ccc2cc(CN3CCc4ccccc4C3)ccc2c1 ZINC000038642473 174150749 /nfs/dbraw/zinc/15/07/49/174150749.db2.gz JDIHSDYOQSSTDW-UHFFFAOYSA-N 0 3 273.379 4.398 1 0 CIAFHN CN(C)[C@@H]1C[C@H](Oc2ccc(Cl)cc2)c2ccccc21 ZINC000040423343 174258259 /nfs/dbraw/zinc/25/82/59/174258259.db2.gz NNOXYEGAVKKWOL-SJORKVTESA-N 0 3 287.790 4.467 1 0 CIAFHN Cc1cc(Nc2ccnc(-c3ccc(Cl)cc3)n2)ccn1 ZINC000045201979 175327052 /nfs/dbraw/zinc/32/70/52/175327052.db2.gz PFHBOOBQOJYNRO-UHFFFAOYSA-N 0 3 296.761 4.244 1 0 CIAFHN Clc1cc(Cl)cc(-c2ccc3c(c2)CCNC3)c1 ZINC000071341527 176130659 /nfs/dbraw/zinc/13/06/59/176130659.db2.gz YWRVJCYXNWGOSF-UHFFFAOYSA-N 0 3 278.182 4.306 1 0 CIAFHN CCCCC[C@@H](C)NCc1coc(-c2ccccc2O)n1 ZINC000072102283 176315899 /nfs/dbraw/zinc/31/58/99/176315899.db2.gz UFYIEMXKBWIDAF-CYBMUJFWSA-N 0 3 288.391 4.106 1 0 CIAFHN CCC[C@H](N)c1nc2ccccc2n1Cc1cccc(C)c1 ZINC000072118041 176319323 /nfs/dbraw/zinc/31/93/23/176319323.db2.gz YRGADZZUWQGVFK-INIZCTEOSA-N 0 3 293.414 4.193 1 0 CIAFHN Cc1ccccc1-c1nc(CN2C[C@H](C)C[C@H](C)C2)co1 ZINC000072182355 176335164 /nfs/dbraw/zinc/33/51/64/176335164.db2.gz SYVXUHWAORZMSI-OKILXGFUSA-N 0 3 284.403 4.128 1 0 CIAFHN CCCCN[C@@H](C)c1cc2c(cc1OC)OC(C)(C)C=C2 ZINC000096932079 185132478 /nfs/dbraw/zinc/13/24/78/185132478.db2.gz BVARUCMUZAWQLP-ZDUSSCGKSA-N 0 3 289.419 4.330 1 0 CIAFHN CC[C@@H](C)CNc1[nH]ccc2nc3ccccc3c1-2 ZINC000040431028 174260070 /nfs/dbraw/zinc/26/00/70/174260070.db2.gz YZWMTFORQSIEAP-LLVKDONJSA-N 0 3 253.349 4.174 1 0 CIAFHN CC(C)C[C@H](NC(C)(C)C)C(=O)c1cccc(Cl)c1 ZINC000045253931 175336895 /nfs/dbraw/zinc/33/68/95/175336895.db2.gz WEKVVEUCXILQOT-AWEZNQCLSA-N 0 3 281.827 4.326 1 0 in-vitro CIAFHN CC(C)=CCN1c2ccccc2[C@@]2(CC=C(C)C)CCN[C@@H]12 ZINC000038329145 174139629 /nfs/dbraw/zinc/13/96/29/174139629.db2.gz TWRZIFGLJFJQJK-VQTJNVASSA-N 0 3 296.458 4.386 1 0 in-vivo CIAFHN Fc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NCc1ccccc1 ZINC000040981171 174445526 /nfs/dbraw/zinc/44/55/26/174445526.db2.gz BTTUUWOQKXRGBG-SFHVURJKSA-N 0 3 294.373 4.474 1 0 CIAFHN C[C@@H]1CCCN1Cc1coc(-c2cccc3ccccc32)n1 ZINC000072183593 176335108 /nfs/dbraw/zinc/33/51/08/176335108.db2.gz CCBFSAURRZGINT-CQSZACIVSA-N 0 3 292.382 4.479 1 0 CIAFHN CN1CCCC[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000095585029 185012841 /nfs/dbraw/zinc/01/28/41/185012841.db2.gz NYADKXRJISYHGA-NSHDSACASA-N 0 3 258.192 4.193 1 0 CIAFHN CCCC[C@@H](NC(C)(C)C)C(=O)c1cccc(Cl)c1 ZINC000045290486 175354108 /nfs/dbraw/zinc/35/41/08/175354108.db2.gz WSLDIWPVDFGUNH-CQSZACIVSA-N 0 3 281.827 4.470 1 0 in-vivo CIAFHN CN(C)[C@H]1CCN2c3ccccc3Sc3cccc1c32 ZINC000055646877 522105814 /nfs/dbraw/zinc/10/58/14/522105814.db2.gz XGYHDRUNNACRFL-ZDUSSCGKSA-N 0 3 282.412 4.296 1 0 CIAFHN N=C(c1cccs1)C1(N2CCCCC2)CCCCC1 ZINC000006017883 170168698 /nfs/dbraw/zinc/16/86/98/170168698.db2.gz REJZZKFPYQUFFT-UHFFFAOYSA-N 0 3 276.449 4.305 1 0 CIAFHN CCCc1cc2c(s1)CN(C)C[C@H]2c1ccc(F)cc1 ZINC000038157563 174135027 /nfs/dbraw/zinc/13/50/27/174135027.db2.gz SIKYUYQNMZUMHE-INIZCTEOSA-N 0 3 289.419 4.417 1 0 CIAFHN CC(C)=CCN1c2ccccc2[C@]2(CC=C(C)C)CCN[C@@H]12 ZINC000038329144 174139351 /nfs/dbraw/zinc/13/93/51/174139351.db2.gz TWRZIFGLJFJQJK-PMACEKPBSA-N 0 3 296.458 4.386 1 0 in-vivo CIAFHN CCC[C@@H](C)Nc1[nH]ccc2nc3ccccc3c1-2 ZINC000040429979 174259313 /nfs/dbraw/zinc/25/93/13/174259313.db2.gz KGEYNLYMGMIPGL-LLVKDONJSA-N 0 3 253.349 4.317 1 0 CIAFHN Cc1cccc(C)c1CNc1ccnc2ccccc21 ZINC000045211060 175329248 /nfs/dbraw/zinc/32/92/48/175329248.db2.gz IZALVDHFKIVNLU-UHFFFAOYSA-N 0 3 262.356 4.464 1 0 CIAFHN CCCC[C@H](NC(C)(C)C)C(=O)c1cccc(Cl)c1 ZINC000045290483 175354160 /nfs/dbraw/zinc/35/41/60/175354160.db2.gz WSLDIWPVDFGUNH-AWEZNQCLSA-N 0 3 281.827 4.470 1 0 in-vivo CIAFHN CCCCc1ccc(-c2nc(CNC(C)C)co2)cc1 ZINC000072184581 176335152 /nfs/dbraw/zinc/33/51/52/176335152.db2.gz BQJWXKPYFKJBKA-UHFFFAOYSA-N 0 3 272.392 4.182 1 0 CIAFHN C[C@H]1CCCN1Cc1coc(-c2cccc3ccccc32)n1 ZINC000072183594 176335273 /nfs/dbraw/zinc/33/52/73/176335273.db2.gz CCBFSAURRZGINT-AWEZNQCLSA-N 0 3 292.382 4.479 1 0 CIAFHN CCC1=C[C@@H]2C[C@H](C1)Cc1nc3ccccc3c(N)c12 ZINC000027525519 581091918 /nfs/dbraw/zinc/09/19/18/581091918.db2.gz JTXWLCKLIIRZKL-QWHCGFSZSA-N 0 3 264.372 4.203 1 0 CIAFHN c1cc2c(s1)C1(CCN(Cc3ccccc3)CC1)OC=C2 ZINC000095557644 185009273 /nfs/dbraw/zinc/00/92/73/185009273.db2.gz NCZBEGDTXJBOJZ-UHFFFAOYSA-N 0 3 297.423 4.240 1 0 CIAFHN CN1Cc2ccccc2[C@@H](c2ccc(Cl)c(F)c2)C1 ZINC000095560360 185009451 /nfs/dbraw/zinc/00/94/51/185009451.db2.gz FZJAPDJONFNIEV-CQSZACIVSA-N 0 3 275.754 4.056 1 0 CIAFHN CCC[C@H](C)Nc1[nH]ccc2nc3ccccc3c1-2 ZINC000040429981 174259457 /nfs/dbraw/zinc/25/94/57/174259457.db2.gz KGEYNLYMGMIPGL-NSHDSACASA-N 0 3 253.349 4.317 1 0 CIAFHN CN([C@H]1CCc2ccccc21)[C@@H]1CCC(=O)c2ccccc21 ZINC000045316132 175357747 /nfs/dbraw/zinc/35/77/47/175357747.db2.gz REOZAYVAGVYMBV-RBUKOAKNSA-N 0 3 291.394 4.324 1 0 CIAFHN Clc1ccc(-c2nc(CNC3CCCC3)co2)cc1 ZINC000072186122 176335982 /nfs/dbraw/zinc/33/59/82/176335982.db2.gz KCJPYMPXVXSYHH-UHFFFAOYSA-N 0 3 276.767 4.027 1 0 CIAFHN [O-]c1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c(Cl)c1 ZINC000095581363 185011394 /nfs/dbraw/zinc/01/13/94/185011394.db2.gz ZQWHZTOWZUXUFZ-UHFFFAOYSA-N 0 3 291.822 4.104 1 0 CIAFHN CN1CCCC[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000095585030 185012615 /nfs/dbraw/zinc/01/26/15/185012615.db2.gz NYADKXRJISYHGA-LLVKDONJSA-N 0 3 258.192 4.193 1 0 CIAFHN Cc1cccc2cc(CNC3CCCC3)c(Cl)nc12 ZINC000004890459 170036286 /nfs/dbraw/zinc/03/62/86/170036286.db2.gz MRJDBOASBDYEGB-UHFFFAOYSA-N 0 3 274.795 4.229 3 0 CIAFHN CCC[C@H](N)c1nc2ccccc2n1Cc1cccc(F)c1 ZINC000072118855 176319163 /nfs/dbraw/zinc/31/91/63/176319163.db2.gz PEJZTOUWCNNSEZ-HNNXBMFYSA-N 0 3 297.377 4.024 1 0 CIAFHN CCCCCCOc1cc(C)ccc1C(=O)CCN(C)C ZINC000043068640 174962013 /nfs/dbraw/zinc/96/20/13/174962013.db2.gz LLHYRCMSGOIBAU-UHFFFAOYSA-N 0 3 291.435 4.089 1 0 CIAFHN CCCCC[C@H](C)NCc1cc(-c2ccccc2)n(C)n1 ZINC000072141318 176323496 /nfs/dbraw/zinc/32/34/96/176323496.db2.gz NRIWAEHQDWYGDI-HNNXBMFYSA-N 0 3 285.435 4.146 1 0 CIAFHN CCCCC[C@H](C)NCc1coc(-c2ccccc2)n1 ZINC000072183614 176335206 /nfs/dbraw/zinc/33/52/06/176335206.db2.gz VQQHBGXUYKOMPU-AWEZNQCLSA-N 0 3 272.392 4.400 1 0 CIAFHN CCCC[C@H]1Cc2ccccc2[C@@H](c2ccccc2)N1 ZINC000072183365 176335429 /nfs/dbraw/zinc/33/54/29/176335429.db2.gz GRRZRNSJTPYGRC-PKOBYXMFSA-N 0 3 265.400 4.481 1 0 CIAFHN Nc1cc(CCc2c[nH]c3ccccc23)nc2ccccc12 ZINC000096910887 185129225 /nfs/dbraw/zinc/12/92/25/185129225.db2.gz ZUPFTTVAAVIDSL-UHFFFAOYSA-N 0 3 287.366 4.084 1 0 CIAFHN CCCc1cc2c(s1)CN(C)C[C@@H]2c1ccc(F)cc1 ZINC000038157562 174135385 /nfs/dbraw/zinc/13/53/85/174135385.db2.gz SIKYUYQNMZUMHE-MRXNPFEDSA-N 0 3 289.419 4.417 1 0 CIAFHN CN([C@@H]1CC(=O)c2ccccc21)[C@@H]1CCCc2ccccc21 ZINC000045245082 175336297 /nfs/dbraw/zinc/33/62/97/175336297.db2.gz HPQRVPSYMLEDSN-RTBURBONSA-N 0 3 291.394 4.324 1 0 CIAFHN CN([C@@H]1CCc2ccccc21)[C@@H]1CCC(=O)c2ccccc21 ZINC000045316128 175357939 /nfs/dbraw/zinc/35/79/39/175357939.db2.gz REOZAYVAGVYMBV-RTBURBONSA-N 0 3 291.394 4.324 1 0 CIAFHN CCCCC[C@@H](C)NCc1cc(-c2ccccc2)n(C)n1 ZINC000072141317 176323549 /nfs/dbraw/zinc/32/35/49/176323549.db2.gz NRIWAEHQDWYGDI-OAHLLOKOSA-N 0 3 285.435 4.146 1 0 CIAFHN