smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH]c2ccccc2c1[C@@H](Nc1cc(C)cc[nH+]1)c1ccc(C)cc1 ZINC000000072048 563974409 /nfs/dbraw/zinc/97/44/09/563974409.db2.gz UXASOCDPYFCFGE-QHCPKHFHSA-N 1 1 341.458 5.690 50 0 EKAAMO Cc1[nH]c2ccccc2c1[C@H](Nc1cc(C)cc[nH+]1)c1ccc(C)cc1 ZINC000000072054 205399800 /nfs/dbraw/zinc/39/98/00/205399800.db2.gz UXASOCDPYFCFGE-HSZRJFAPSA-N 1 1 341.458 5.690 50 0 EKAAMO Cc1[nH]c2ccccc2c1[C@H](Nc1cc(C)cc[nH+]1)c1cccs1 ZINC000000072129 563974419 /nfs/dbraw/zinc/97/44/19/563974419.db2.gz FCEQYQWAOQUKPG-HXUWFJFHSA-N 1 1 333.460 5.443 50 0 EKAAMO Cc1cc(Nc2ccc(C)c(Cl)c2)nc(NCc2ccccc2)[nH+]1 ZINC000000073458 201429813 /nfs/dbraw/zinc/42/98/13/201429813.db2.gz XFMSITUPECQXRW-UHFFFAOYSA-N 1 1 338.842 5.103 50 0 EKAAMO CC(C)(C)c1cc(-c2c[nH+]c3n2CCCCC3)cc(C(C)(C)C)c1O ZINC000000099965 201434206 /nfs/dbraw/zinc/43/42/06/201434206.db2.gz NMNXPXYADNLSCL-UHFFFAOYSA-N 1 1 340.511 5.577 50 0 EKAAMO Cc1cc(Nc2ccc(Cl)c(Cl)c2)c2cc(Cl)ccc2[nH+]1 ZINC000000143870 563243255 /nfs/dbraw/zinc/24/32/55/563243255.db2.gz YKNHXABRNWDVCQ-UHFFFAOYSA-N 1 1 337.637 6.247 50 0 EKAAMO Cc1cc(Nc2cccc(C(F)(F)F)c2)c2cc(Cl)ccc2[nH+]1 ZINC000000143882 563243298 /nfs/dbraw/zinc/24/32/98/563243298.db2.gz ZJFFCVKNUNYMHH-UHFFFAOYSA-N 1 1 336.744 5.959 50 0 EKAAMO CC[N@@H+](Cc1ccc(-c2ccc(Cl)cc2)o1)Cc1ccccc1 ZINC000000213220 563261470 /nfs/dbraw/zinc/26/14/70/563261470.db2.gz AWUKMELMMYRBMQ-UHFFFAOYSA-N 1 1 325.839 5.622 50 0 EKAAMO Cc1cccc2[nH+]c(-c3ccc(Cl)cc3)c(NCc3ccccc3)n21 ZINC000000319603 563991108 /nfs/dbraw/zinc/99/11/08/563991108.db2.gz TULUOPCCFZDHTD-UHFFFAOYSA-N 1 1 347.849 5.575 50 0 EKAAMO Cc1ccc(-c2[nH+]c3cc(C)ccn3c2NCc2ccccc2)cc1 ZINC000000319665 563991141 /nfs/dbraw/zinc/99/11/41/563991141.db2.gz LMIGPEHAXCMLDN-UHFFFAOYSA-N 1 1 327.431 5.230 50 0 EKAAMO Cc1ccn2c(c1)[nH+]c(-c1ccc(F)cc1)c2NCc1ccccc1 ZINC000000319667 564000164 /nfs/dbraw/zinc/00/01/64/564000164.db2.gz HOOYVHUMFHSPQW-UHFFFAOYSA-N 1 1 331.394 5.061 50 0 EKAAMO Cc1ccccc1-c1[nH+]c2ccc(Cl)cn2c1NCc1ccccc1 ZINC000000319712 563991114 /nfs/dbraw/zinc/99/11/14/563991114.db2.gz CUMWPIPXGXRGQF-UHFFFAOYSA-N 1 1 347.849 5.575 50 0 EKAAMO Cc1cccc(-c2[nH+]c3ccc(Cl)cn3c2NCc2ccccc2)c1 ZINC000000319714 563991117 /nfs/dbraw/zinc/99/11/17/563991117.db2.gz HPWAORJVJJLVCP-UHFFFAOYSA-N 1 1 347.849 5.575 50 0 EKAAMO Cc1cc2[nH+]c(-c3ccccc3C)c(NCc3ccccc3)n2c(C)c1 ZINC000000319731 563991106 /nfs/dbraw/zinc/99/11/06/563991106.db2.gz VKMGSDUJZDHZCQ-UHFFFAOYSA-N 1 1 341.458 5.539 50 0 EKAAMO Cc1ccc(-c2[nH+]c3ccc(C)cn3c2NCc2ccccc2)cc1 ZINC000000319780 563991111 /nfs/dbraw/zinc/99/11/11/563991111.db2.gz ASMFJXRILPOWOE-UHFFFAOYSA-N 1 1 327.431 5.230 50 0 EKAAMO Cc1ccc2[nH+]c(-c3ccc(F)cc3)c(NCc3ccccc3)n2c1 ZINC000000319782 563284326 /nfs/dbraw/zinc/28/43/26/563284326.db2.gz GFBQMQHVBDJXCL-UHFFFAOYSA-N 1 1 331.394 5.061 50 0 EKAAMO Cc1ccc2[nH+]c(-c3ccccc3F)c(NCc3ccccc3)n2c1 ZINC000000319788 563991104 /nfs/dbraw/zinc/99/11/04/563991104.db2.gz YOUGMYQSJQRKRT-UHFFFAOYSA-N 1 1 331.394 5.061 50 0 EKAAMO Cc1ccc2[nH+]c(-c3cccc(F)c3)c(NCc3ccccc3)n2c1 ZINC000000319812 563991179 /nfs/dbraw/zinc/99/11/79/563991179.db2.gz VINQPQHRCADBBB-UHFFFAOYSA-N 1 1 331.394 5.061 50 0 EKAAMO Cc1cccc2[nH+]c(-c3ccc(Cl)cc3)c(NC3CCCCC3)n21 ZINC000000319858 563991181 /nfs/dbraw/zinc/99/11/81/563991181.db2.gz GLVFDENYBKHEQG-UHFFFAOYSA-N 1 1 339.870 5.708 50 0 EKAAMO Cc1ccn2c(c1)[nH+]c(-c1cccc(Cl)c1)c2NC1CCCCC1 ZINC000000319945 563991192 /nfs/dbraw/zinc/99/11/92/563991192.db2.gz SWJQXKUKOCUFER-UHFFFAOYSA-N 1 1 339.870 5.708 50 0 EKAAMO COc1cccc(-c2[nH+]c3cc(C)ccn3c2NC2CCCCC2)c1 ZINC000000319949 563991183 /nfs/dbraw/zinc/99/11/83/563991183.db2.gz SSFCVEBZEFEIAT-UHFFFAOYSA-N 1 1 335.451 5.063 50 0 EKAAMO Cc1ccc(-c2[nH+]c3ccc(Cl)cn3c2NC2CCCCC2)cc1 ZINC000000319965 563991185 /nfs/dbraw/zinc/99/11/85/563991185.db2.gz AZSHRXLFLBEXJW-UHFFFAOYSA-N 1 1 339.870 5.708 50 0 EKAAMO Cc1ccccc1-c1[nH+]c2ccc(Cl)cn2c1NC1CCCCC1 ZINC000000319986 563991149 /nfs/dbraw/zinc/99/11/49/563991149.db2.gz QZEVMYOHAKOVQM-UHFFFAOYSA-N 1 1 339.870 5.708 50 0 EKAAMO Cc1cc2[nH+]c(-c3ccccc3C)c(NC3CCCCC3)n2c(C)c1 ZINC000000319998 563991161 /nfs/dbraw/zinc/99/11/61/563991161.db2.gz ARACNZDXSPUGDM-UHFFFAOYSA-N 1 1 333.479 5.671 50 0 EKAAMO Cc1ccc2[nH+]c(-c3ccc(Cl)cc3)c(NC3CCCCC3)n2c1 ZINC000000320033 563991124 /nfs/dbraw/zinc/99/11/24/563991124.db2.gz LRXZXQDSQDKKOQ-UHFFFAOYSA-N 1 1 339.870 5.708 50 0 EKAAMO COc1cccc(-c2[nH+]c3ccc(C)cn3c2NC2CCCCC2)c1 ZINC000000320095 563991128 /nfs/dbraw/zinc/99/11/28/563991128.db2.gz XWICHVTVSMTBJH-UHFFFAOYSA-N 1 1 335.451 5.063 50 0 EKAAMO Cc1ccn2c(c1)[nH+]c(-c1ccc(C(F)(F)F)cc1)c2NC(C)(C)C ZINC000000320209 564125184 /nfs/dbraw/zinc/12/51/84/564125184.db2.gz WPNMDFBDPKKTIJ-UHFFFAOYSA-N 1 1 347.384 5.539 50 0 EKAAMO CC(C)(C)Nc1c(-c2cccc(Cl)c2)[nH+]c2ccc(Cl)cn21 ZINC000000320275 563991169 /nfs/dbraw/zinc/99/11/69/563991169.db2.gz CHKVFWSEEONCEZ-UHFFFAOYSA-N 1 1 334.250 5.519 50 0 EKAAMO Cc1cc2[nH+]c(-c3ccc(Cl)cc3)c(NC(C)(C)C)n2c(C)c1 ZINC000000320283 563991156 /nfs/dbraw/zinc/99/11/56/563991156.db2.gz LIUHJPMMCLBNGI-UHFFFAOYSA-N 1 1 327.859 5.482 50 0 EKAAMO Cc1ccc2[nH+]c(-c3ccc(C(F)(F)F)cc3)c(NC(C)(C)C)n2c1 ZINC000000320376 563991164 /nfs/dbraw/zinc/99/11/64/563991164.db2.gz QPYOBPBEHOFQQJ-UHFFFAOYSA-N 1 1 347.384 5.539 50 0 EKAAMO Cc1ccc2[nH+]c(C3CCCCC3)c(Nc3c(C)cccc3C)n2c1 ZINC000000320507 563991102 /nfs/dbraw/zinc/99/11/02/563991102.db2.gz QJRFVOVKBFOOFK-UHFFFAOYSA-N 1 1 333.479 6.051 50 0 EKAAMO Cc1ccc(-c2[nH+]c3ccccn3c2NC(C)(C)CC(C)(C)C)cc1 ZINC000000320633 563991136 /nfs/dbraw/zinc/99/11/36/563991136.db2.gz JJWDSPPJFCEAGT-UHFFFAOYSA-N 1 1 335.495 5.936 50 0 EKAAMO Cc1ccccc1-c1[nH+]c2ccccn2c1NC(C)(C)CC(C)(C)C ZINC000000320662 563991154 /nfs/dbraw/zinc/99/11/54/563991154.db2.gz ZYVGUAPNHOIDJK-UHFFFAOYSA-N 1 1 335.495 5.936 50 0 EKAAMO Cc1cccc(-c2[nH+]c3ccccn3c2NC(C)(C)CC(C)(C)C)c1 ZINC000000320663 563991188 /nfs/dbraw/zinc/99/11/88/563991188.db2.gz KMCNJPYNCOKVDA-UHFFFAOYSA-N 1 1 335.495 5.936 50 0 EKAAMO Cc1[nH+]c2ccc(Cl)cc2c2c1CCN2c1ccc(Cl)cc1 ZINC000000383318 563300879 /nfs/dbraw/zinc/30/08/79/563300879.db2.gz FGLOCTXHRKYREZ-UHFFFAOYSA-N 1 1 329.230 5.544 50 0 EKAAMO C[N@H+]1CCC[C@@H]1CCO[C@](C)(c1ccccc1)c1ccc(Cl)cc1 ZINC000000402830 563306371 /nfs/dbraw/zinc/30/63/71/563306371.db2.gz YNNUSGIPVFPVBX-NHCUHLMSSA-N 1 1 343.898 5.104 50 0 fda EKAAMO CSc1ccc(-c2[nH+]c3ccccn3c2NC2CCCCC2)cc1 ZINC000000426796 563998637 /nfs/dbraw/zinc/99/86/37/563998637.db2.gz CZWRMZNDFSJMCU-UHFFFAOYSA-N 1 1 337.492 5.468 50 0 EKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NC(C)C)c1 ZINC000000498967 564018283 /nfs/dbraw/zinc/01/82/83/564018283.db2.gz RJOBUNCBDIAXFR-UHFFFAOYSA-N 1 1 342.446 5.216 50 0 EKAAMO CC(C)CNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000000499023 209636750 /nfs/dbraw/zinc/63/67/50/209636750.db2.gz SYFYXVBAOLJIHK-UHFFFAOYSA-N 1 1 342.446 5.155 50 0 EKAAMO CCOc1cc2c[nH+]c(Nc3ccc(Cl)cc3)cc2cc1OCC ZINC000000537185 564022224 /nfs/dbraw/zinc/02/22/24/564022224.db2.gz QLHJRALAMIOWDQ-UHFFFAOYSA-N 1 1 342.826 5.429 50 0 EKAAMO Cc1ccc2c(c1)c1c3n2CC[N@H+]([C@H](C)c2ccccc2)[C@@H]3CCC1 ZINC000000977889 564090576 /nfs/dbraw/zinc/09/05/76/564090576.db2.gz GNVBGFAKJVJGJT-VGOFRKELSA-N 1 1 330.475 5.404 50 0 EKAAMO Cc1ccc2c(c1)c1c3n2CC[N@@H+]([C@H](C)c2ccccc2)[C@@H]3CCC1 ZINC000000977889 564090575 /nfs/dbraw/zinc/09/05/75/564090575.db2.gz GNVBGFAKJVJGJT-VGOFRKELSA-N 1 1 330.475 5.404 50 0 EKAAMO CCn1c2ccccc2c2cc(C[N@@H+](C)Cc3ccccc3)ccc21 ZINC000001108049 563374921 /nfs/dbraw/zinc/37/49/21/563374921.db2.gz XPEPWIKTPSRGAT-UHFFFAOYSA-N 1 1 328.459 5.446 50 0 EKAAMO CC[N@@H+](Cc1ccccc1)Cc1ccc(OCc2ccccc2)cc1 ZINC000001226134 563380415 /nfs/dbraw/zinc/38/04/15/563380415.db2.gz ASXJYXZVDASYGU-UHFFFAOYSA-N 1 1 331.459 5.288 50 0 EKAAMO CCn1c2ccccc2c2cc(C[N@@H+](CC)Cc3ccccc3)ccc21 ZINC000001226435 563380392 /nfs/dbraw/zinc/38/03/92/563380392.db2.gz XJJBQWKXDCTENI-UHFFFAOYSA-N 1 1 342.486 5.837 50 0 EKAAMO C[C@@H]1CC[C@@]2(C)c3c(c4ccccc4n3Cc3ccccc3)CC[N@H+]2C1 ZINC000001295561 564063031 /nfs/dbraw/zinc/06/30/31/564063031.db2.gz VAABMKSTVWFIJI-KOSHJBKYSA-N 1 1 344.502 5.193 50 0 EKAAMO C[C@H]1CC[C@H]2c3c(c4ccccc4n3Cc3ccccc3)CC[N@H+]2C1 ZINC000001295727 564063040 /nfs/dbraw/zinc/06/30/40/564063040.db2.gz MIAAJFLJFWAPKY-JTSKRJEESA-N 1 1 330.475 5.019 50 0 EKAAMO CC(C)[N@@H+](CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1 ZINC000001487934 563391070 /nfs/dbraw/zinc/39/10/70/563391070.db2.gz JSASWRWALCMOQP-UHFFFAOYSA-N 1 1 331.459 5.323 50 0 aggregator,in-vitro EKAAMO CC(C)[N@@H+](CC(=O)c1ccc(C2CCCC2)cc1)Cc1ccccc1 ZINC000002021336 564003658 /nfs/dbraw/zinc/00/36/58/564003658.db2.gz FCQQBXIHDMJFPT-UHFFFAOYSA-N 1 1 335.491 5.438 50 0 EKAAMO C[N@@H+](Cc1ccccc1)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000002057892 563420379 /nfs/dbraw/zinc/42/03/79/563420379.db2.gz RNXIQKQYYGIDAB-UHFFFAOYSA-N 1 1 339.523 5.619 50 0 EKAAMO C[C@H]1CC[C@@]2(C)c3c(c4ccccc4n3Cc3ccccc3)CC[N@H+]2C1 ZINC000002097813 564117603 /nfs/dbraw/zinc/11/76/03/564117603.db2.gz VAABMKSTVWFIJI-UUOWRZLLSA-N 1 1 344.502 5.193 50 0 EKAAMO C[N@H+]1CC[C@@H](c2ccccc2)[C@@H](c2ccccc2)c2ccccc2C1 ZINC000002172295 258049466 /nfs/dbraw/zinc/04/94/66/258049466.db2.gz SNUVBTJYLUPNFL-ZEQRLZLVSA-N 1 1 327.471 5.438 50 0 EKAAMO C[N@H+]1Cc2ccccc2[C@H]1C1c2ccccc2CCc2ccccc21 ZINC000002172328 258049486 /nfs/dbraw/zinc/04/94/86/258049486.db2.gz FAZGOYZHDVJKNJ-DEOSSOPVSA-N 1 1 325.455 5.104 50 0 EKAAMO C[N@H+]1Cc2ccccc2[C@@H]1C1c2ccccc2CCc2ccccc21 ZINC000002172330 258049541 /nfs/dbraw/zinc/04/95/41/258049541.db2.gz FAZGOYZHDVJKNJ-XMMPIXPASA-N 1 1 325.455 5.104 50 0 EKAAMO C[N@@H+](Cc1ccc(C(C)(C)C)cc1)Cc1cccc2c1OC(C)(C)C2 ZINC000002184124 563425911 /nfs/dbraw/zinc/42/59/11/563425911.db2.gz HKZOKCVWRUVYBI-UHFFFAOYSA-N 1 1 337.507 5.330 50 0 EKAAMO CN(C)c1ccccc1-c1ccccc1[PH+](C(C)(C)C)C(C)(C)C ZINC000002581131 563443275 /nfs/dbraw/zinc/44/32/75/563443275.db2.gz PHLPNEHPCYZBNZ-UHFFFAOYSA-N 1 1 341.479 6.124 50 0 EKAAMO CCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000002714784 563606831 /nfs/dbraw/zinc/60/68/31/563606831.db2.gz WFVQXXQTQPZWAD-UHFFFAOYSA-N 1 1 346.409 5.049 50 0 EKAAMO CCCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000002714837 564152216 /nfs/dbraw/zinc/15/22/16/564152216.db2.gz JTHDMFJVECJEHF-UHFFFAOYSA-N 1 1 342.446 5.300 50 0 EKAAMO CCCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(C)cc1 ZINC000002714974 563606766 /nfs/dbraw/zinc/60/67/66/563606766.db2.gz IDYJLQUSXBCYJF-UHFFFAOYSA-N 1 1 342.446 5.218 50 0 EKAAMO C[C@H]1CCC[N@@H+](CCCCOc2ccc(Cl)c3ccccc23)C1 ZINC000002823119 564116993 /nfs/dbraw/zinc/11/69/93/564116993.db2.gz RDROBRDUURLING-INIZCTEOSA-N 1 1 331.887 5.384 50 0 EKAAMO C[C@@H]1CCC[N@@H+](CCCCOc2ccc(Cl)c3ccccc23)C1 ZINC000002823120 564116966 /nfs/dbraw/zinc/11/69/66/564116966.db2.gz RDROBRDUURLING-MRXNPFEDSA-N 1 1 331.887 5.384 50 0 EKAAMO C[N@@H+](CCCOc1ccccc1-c1ccccc1)Cc1ccccc1 ZINC000002823126 564116951 /nfs/dbraw/zinc/11/69/51/564116951.db2.gz SKQCYXHKKAHDSV-UHFFFAOYSA-N 1 1 331.459 5.255 50 0 EKAAMO C/C=C/c1ccc(OCCCC[N@@H+](C)Cc2ccccc2)c(OC)c1 ZINC000002823158 564116982 /nfs/dbraw/zinc/11/69/82/564116982.db2.gz QKDSSYZNTLJPGR-ONNFQVAWSA-N 1 1 339.479 5.019 50 0 EKAAMO Cc1c(Cl)ccc(OCCCC[N@H+](C)Cc2ccccc2)c1C ZINC000002823484 564116987 /nfs/dbraw/zinc/11/69/87/564116987.db2.gz BEVRSXLNGHMMMI-UHFFFAOYSA-N 1 1 331.887 5.248 50 0 EKAAMO C[N@@H+](CCCCOc1ccccc1-c1ccccc1)Cc1ccccc1 ZINC000002824126 564117017 /nfs/dbraw/zinc/11/70/17/564117017.db2.gz HRPJHYXEBNQPQU-UHFFFAOYSA-N 1 1 345.486 5.645 50 0 EKAAMO C[N@@H+](Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C1CCCCC1 ZINC000002893790 563462396 /nfs/dbraw/zinc/46/23/96/563462396.db2.gz RPYHKYNBJMGYMW-UHFFFAOYSA-N 1 1 331.544 5.752 50 0 EKAAMO CCCC[N@@H+](C)Cc1cc2oc(C)c(-c3ccccc3)c2cc1OC ZINC000002928710 563463955 /nfs/dbraw/zinc/46/39/55/563463955.db2.gz HHXUUZFNRBCSMV-UHFFFAOYSA-N 1 1 337.463 5.649 50 0 EKAAMO Cc1ccc2c(c1)c1c3n2CCC[N@@H+](Cc2ccccc2F)[C@H]3CCC1 ZINC000002928786 563918676 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C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1cc2ccccc2nc1Cl ZINC000012971892 563679182 /nfs/dbraw/zinc/67/91/82/563679182.db2.gz OIIKGQUOJWSHBB-CYBMUJFWSA-N 1 1 328.818 5.220 50 0 EKAAMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1cc2ccccc2nc1Cl ZINC000012971894 563679256 /nfs/dbraw/zinc/67/92/56/563679256.db2.gz OIIKGQUOJWSHBB-ZDUSSCGKSA-N 1 1 328.818 5.220 50 0 EKAAMO C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1cc2ccccc2nc1Cl ZINC000012971894 563679253 /nfs/dbraw/zinc/67/92/53/563679253.db2.gz OIIKGQUOJWSHBB-ZDUSSCGKSA-N 1 1 328.818 5.220 50 0 EKAAMO C[N@@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)C1CCCCCC1 ZINC000013002660 564135868 /nfs/dbraw/zinc/13/58/68/564135868.db2.gz DLKVNXCXGGVUPH-UHFFFAOYSA-N 1 1 336.479 5.094 50 0 EKAAMO Cc1[nH]c2ccccc2c1[C@@H](Nc1cc(C)cc[nH+]1)c1ccc(F)cc1 ZINC000013062705 563686846 /nfs/dbraw/zinc/68/68/46/563686846.db2.gz WNAUFUOFLFCSLH-QFIPXVFZSA-N 1 1 345.421 5.520 50 0 EKAAMO Cc1[nH]c2ccccc2c1[C@H](Nc1cc(C)cc[nH+]1)c1ccc(F)cc1 ZINC000013062706 563686833 /nfs/dbraw/zinc/68/68/33/563686833.db2.gz 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CCCCC[C@@H]1[C@H](O)C[C@@H](c2ccccc2)[N@@H+](C)[C@@H]1c1ccccc1 ZINC000013468125 563698924 /nfs/dbraw/zinc/69/89/24/563698924.db2.gz YIBLLNKVEAJJCJ-KAOXLYBCSA-N 1 1 337.507 5.362 50 0 EKAAMO C[N@H+]1CCC[C@@H](C[C@@H]2Oc3ccccc3Sc3ccccc32)C1 ZINC000013555143 563701512 /nfs/dbraw/zinc/70/15/12/563701512.db2.gz ZOXQYFLPDQGMDX-YJBOKZPZSA-N 1 1 325.477 5.003 50 0 EKAAMO CCCCC[C@@H]1C(=O)C[C@H](c2ccccc2)[N@H+](C)[C@H]1c1ccccc1 ZINC000013574154 564128996 /nfs/dbraw/zinc/12/89/96/564128996.db2.gz MZWDNWGOALGHNY-XPNTWCBSSA-N 1 1 335.491 5.570 50 0 EKAAMO CCCCC[C@@H]1C(=O)C[C@H](c2ccccc2)[N@@H+](C)[C@H]1c1ccccc1 ZINC000013574154 564128995 /nfs/dbraw/zinc/12/89/95/564128995.db2.gz MZWDNWGOALGHNY-XPNTWCBSSA-N 1 1 335.491 5.570 50 0 EKAAMO COc1ccccc1C[NH2+]Cc1ccc(-c2cccc(Cl)c2C)o1 ZINC000013720673 563716422 /nfs/dbraw/zinc/71/64/22/563716422.db2.gz URBAYJQNLSXEQU-UHFFFAOYSA-N 1 1 341.838 5.207 50 0 EKAAMO COc1ccccc1C[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000013720682 563716462 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Clc1c2ccccc2sc1C[N@H+]1CCC[C@H]1c1cccs1 ZINC000014077703 563738081 /nfs/dbraw/zinc/73/80/81/563738081.db2.gz VVWLNYLFXAHGML-ZDUSSCGKSA-N 1 1 333.909 5.953 50 0 EKAAMO C[C@H](c1nc(-c2ccccc2)no1)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000014238928 563753535 /nfs/dbraw/zinc/75/35/35/563753535.db2.gz VYSPMDDYVNEHLD-MRXNPFEDSA-N 1 1 343.430 5.083 50 0 EKAAMO C[C@H](c1nc(-c2ccccc2)no1)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000014238928 563753533 /nfs/dbraw/zinc/75/35/33/563753533.db2.gz VYSPMDDYVNEHLD-MRXNPFEDSA-N 1 1 343.430 5.083 50 0 EKAAMO C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000014238931 563753493 /nfs/dbraw/zinc/75/34/93/563753493.db2.gz VYSPMDDYVNEHLD-INIZCTEOSA-N 1 1 343.430 5.083 50 0 EKAAMO C[C@@H](c1nc(-c2ccccc2)no1)[N@H+](C)Cc1ccc2ccccc2c1 ZINC000014238931 563753489 /nfs/dbraw/zinc/75/34/89/563753489.db2.gz VYSPMDDYVNEHLD-INIZCTEOSA-N 1 1 343.430 5.083 50 0 EKAAMO CCC(CC)Nc1cc(C)[nH+]c(Oc2c(C)cc(C)cc2C)c1C ZINC000014975027 563769525 /nfs/dbraw/zinc/76/95/25/563769525.db2.gz VIZBSVDBNLAVAW-UHFFFAOYSA-N 1 1 326.484 6.017 50 0 in-vivo EKAAMO Cc1oc(-c2cccs2)nc1C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000015064486 563774649 /nfs/dbraw/zinc/77/46/49/563774649.db2.gz VGIBQNXZSSUUCC-GOSISDBHSA-N 1 1 338.476 5.221 50 0 EKAAMO Cc1oc(-c2cccs2)nc1C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000015064487 563774690 /nfs/dbraw/zinc/77/46/90/563774690.db2.gz VGIBQNXZSSUUCC-SFHVURJKSA-N 1 1 338.476 5.221 50 0 EKAAMO CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000015836733 568420135 /nfs/dbraw/zinc/42/01/35/568420135.db2.gz ZFXIIWOZULUYDZ-GOSISDBHSA-N 1 1 345.870 5.084 50 0 EKAAMO CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000015836736 568420103 /nfs/dbraw/zinc/42/01/03/568420103.db2.gz ZFXIIWOZULUYDZ-SFHVURJKSA-N 1 1 345.870 5.084 50 0 EKAAMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(Br)s2)c1 ZINC000015836766 564076417 /nfs/dbraw/zinc/07/64/17/564076417.db2.gz YSUGIUUGBXRNFY-HNNXBMFYSA-N 1 1 336.298 5.156 50 0 EKAAMO Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc(Br)s2)c1 ZINC000015836769 564076408 /nfs/dbraw/zinc/07/64/08/564076408.db2.gz YSUGIUUGBXRNFY-OAHLLOKOSA-N 1 1 336.298 5.156 50 0 EKAAMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000015836930 564076424 /nfs/dbraw/zinc/07/64/24/564076424.db2.gz MTOZENCKAWITIZ-SFHVURJKSA-N 1 1 335.369 5.051 50 0 EKAAMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000015836932 564076440 /nfs/dbraw/zinc/07/64/40/564076440.db2.gz MTOZENCKAWITIZ-GOSISDBHSA-N 1 1 335.369 5.051 50 0 EKAAMO CC[NH+](CC)c1ccc(Nc2cc(-c3ccc(C)cc3)nc(C)n2)cc1 ZINC000015859135 564076824 /nfs/dbraw/zinc/07/68/24/564076824.db2.gz LOWFJIMGNRQBHE-UHFFFAOYSA-N 1 1 346.478 5.350 50 0 EKAAMO CC(C)c1cc([C@@H]2CCC[N@H+]2Cc2ccc(C(F)(F)F)cc2)no1 ZINC000015866879 563797893 /nfs/dbraw/zinc/79/78/93/563797893.db2.gz FRLRUQLXJOMXFX-INIZCTEOSA-N 1 1 338.373 5.154 50 0 EKAAMO CC(C)c1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C(F)(F)F)cc2)no1 ZINC000015866879 563797891 /nfs/dbraw/zinc/79/78/91/563797891.db2.gz FRLRUQLXJOMXFX-INIZCTEOSA-N 1 1 338.373 5.154 50 0 EKAAMO CC(C)c1cc([C@H]2CCC[N@H+]2Cc2ccc(C(F)(F)F)cc2)no1 ZINC000015866880 563797923 /nfs/dbraw/zinc/79/79/23/563797923.db2.gz FRLRUQLXJOMXFX-MRXNPFEDSA-N 1 1 338.373 5.154 50 0 EKAAMO CC(C)c1cc([C@H]2CCC[N@@H+]2Cc2ccc(C(F)(F)F)cc2)no1 ZINC000015866880 563797921 /nfs/dbraw/zinc/79/79/21/563797921.db2.gz FRLRUQLXJOMXFX-MRXNPFEDSA-N 1 1 338.373 5.154 50 0 EKAAMO Clc1ccccc1C[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000016480793 563812759 /nfs/dbraw/zinc/81/27/59/563812759.db2.gz BELGJRBINFFVGU-UHFFFAOYSA-N 1 1 337.850 5.209 50 0 EKAAMO C(C[N@H+]1CCCC2(CCCCC2)C1)N1CCCC2(CCCCC2)C1 ZINC000019363410 212020955 /nfs/dbraw/zinc/02/09/55/212020955.db2.gz KVJUHOIXUVOHTN-UHFFFAOYSA-N 1 1 332.576 5.079 50 0 EKAAMO CC(C)=CCC/C(C)=C/CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019609146 563918161 /nfs/dbraw/zinc/91/81/61/563918161.db2.gz WELOYHKLKQRKIE-OJPKGUMCSA-N 1 1 338.539 5.010 50 0 EKAAMO Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000019635385 202015518 /nfs/dbraw/zinc/01/55/18/202015518.db2.gz 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343.430 5.302 50 0 EKAAMO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1)c1nnc(-c2ccccc2)o1 ZINC000028352063 257835699 /nfs/dbraw/zinc/83/56/99/257835699.db2.gz UHHQZGDDYBDHMD-JKSUJKDBSA-N 1 1 343.430 5.302 50 0 EKAAMO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3cccs3)co2)c(C)c1 ZINC000029975214 563909070 /nfs/dbraw/zinc/90/90/70/563909070.db2.gz MJWASLFFQVEDMY-GOSISDBHSA-N 1 1 338.476 5.357 50 0 EKAAMO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3cccs3)co2)c(C)c1 ZINC000029975214 563909069 /nfs/dbraw/zinc/90/90/69/563909069.db2.gz MJWASLFFQVEDMY-GOSISDBHSA-N 1 1 338.476 5.357 50 0 EKAAMO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H]3c3cccs3)co2)c(C)c1 ZINC000029975218 202192953 /nfs/dbraw/zinc/19/29/53/202192953.db2.gz MJWASLFFQVEDMY-SFHVURJKSA-N 1 1 338.476 5.357 50 0 EKAAMO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3c3cccs3)co2)c(C)c1 ZINC000029975218 202192950 /nfs/dbraw/zinc/19/29/50/202192950.db2.gz MJWASLFFQVEDMY-SFHVURJKSA-N 1 1 338.476 5.357 50 0 EKAAMO C[N@@H+](Cc1nc2ccccc2o1)C(c1ccccc1)c1ccccc1 ZINC000032751340 563724491 /nfs/dbraw/zinc/72/44/91/563724491.db2.gz PGYQVPNZJHMEDB-UHFFFAOYSA-N 1 1 328.415 5.049 50 0 EKAAMO C[N@H+](Cc1nc2ccccc2o1)C(c1ccccc1)c1ccccc1 ZINC000032751340 563724487 /nfs/dbraw/zinc/72/44/87/563724487.db2.gz PGYQVPNZJHMEDB-UHFFFAOYSA-N 1 1 328.415 5.049 50 0 EKAAMO c1cc(-c2nc(C[N@H+]3CCC[C@H]3c3ccccc3)cs2)cs1 ZINC000032889927 202239675 /nfs/dbraw/zinc/23/96/75/202239675.db2.gz VOIFGICFOYTODQ-KRWDZBQOSA-N 1 1 326.490 5.209 50 0 EKAAMO c1cc(-c2nc(C[N@H+]3CCC[C@@H]3c3ccccc3)cs2)cs1 ZINC000032889929 563782408 /nfs/dbraw/zinc/78/24/08/563782408.db2.gz VOIFGICFOYTODQ-QGZVFWFLSA-N 1 1 326.490 5.209 50 0 EKAAMO Cc1oc(-c2ccccc2)nc1C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000032901333 563786857 /nfs/dbraw/zinc/78/68/57/563786857.db2.gz DKAUPEUXZJNSFF-OAQYLSRUSA-N 1 1 332.447 5.159 50 0 EKAAMO Cc1oc(-c2ccccc2)nc1C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000032901334 202240393 /nfs/dbraw/zinc/24/03/93/202240393.db2.gz DKAUPEUXZJNSFF-NRFANRHFSA-N 1 1 332.447 5.159 50 0 EKAAMO c1csc(-c2n[nH]cc2C[N@H+]2CCCCC[C@H]2c2cccs2)c1 ZINC000033087080 202249960 /nfs/dbraw/zinc/24/99/60/202249960.db2.gz YFPGSVQCKBYIQU-HNNXBMFYSA-N 1 1 343.521 5.317 50 0 EKAAMO c1csc(-c2n[nH]cc2C[N@H+]2CCCCC[C@@H]2c2cccs2)c1 ZINC000033087081 563914834 /nfs/dbraw/zinc/91/48/34/563914834.db2.gz YFPGSVQCKBYIQU-OAHLLOKOSA-N 1 1 343.521 5.317 50 0 EKAAMO c1csc([C@@H]2CCCCC[N@@H+]2Cc2c[nH]nc2-c2ccccc2)c1 ZINC000033087082 563914886 /nfs/dbraw/zinc/91/48/86/563914886.db2.gz PGNCKXXCOVGMRK-SFHVURJKSA-N 1 1 337.492 5.256 50 0 EKAAMO c1csc([C@H]2CCCCC[N@@H+]2Cc2c[nH]nc2-c2ccccc2)c1 ZINC000033087083 563914975 /nfs/dbraw/zinc/91/49/75/563914975.db2.gz PGNCKXXCOVGMRK-GOSISDBHSA-N 1 1 337.492 5.256 50 0 EKAAMO FC(F)(F)c1ccc(C[N@H+]2CCCCC[C@@H]2c2cccs2)cc1 ZINC000033087118 563915038 /nfs/dbraw/zinc/91/50/38/563915038.db2.gz JKTOHMKGDDGDPT-MRXNPFEDSA-N 1 1 339.426 5.884 50 0 EKAAMO FC(F)(F)c1ccc(C[N@H+]2CCCCC[C@H]2c2cccs2)cc1 ZINC000033087119 563915033 /nfs/dbraw/zinc/91/50/33/563915033.db2.gz JKTOHMKGDDGDPT-INIZCTEOSA-N 1 1 339.426 5.884 50 0 EKAAMO CSc1ccc(C[N@H+]2CCCCC[C@@H]2c2sccc2C)cc1 ZINC000033087186 563914989 /nfs/dbraw/zinc/91/49/89/563914989.db2.gz WKCHNRODVILGCT-GOSISDBHSA-N 1 1 331.550 5.896 50 0 EKAAMO CSc1ccc(C[N@H+]2CCCCC[C@H]2c2sccc2C)cc1 ZINC000033087187 563914923 /nfs/dbraw/zinc/91/49/23/563914923.db2.gz WKCHNRODVILGCT-SFHVURJKSA-N 1 1 331.550 5.896 50 0 EKAAMO COc1ccc(C[N@H+]2CCCCC[C@@H]2c2sccc2C)c(OC)c1 ZINC000033087192 563915009 /nfs/dbraw/zinc/91/50/09/563915009.db2.gz UYRHIPZDODLVFY-GOSISDBHSA-N 1 1 345.508 5.191 50 0 EKAAMO COc1ccc(C[N@H+]2CCCCC[C@H]2c2sccc2C)c(OC)c1 ZINC000033087193 563914911 /nfs/dbraw/zinc/91/49/11/563914911.db2.gz UYRHIPZDODLVFY-SFHVURJKSA-N 1 1 345.508 5.191 50 0 EKAAMO COc1ccc(C[N@H+]2CCCCC[C@@H]2c2ccc(C)s2)c(OC)c1 ZINC000033087194 202249566 /nfs/dbraw/zinc/24/95/66/202249566.db2.gz AAFBFGHUCCUPSU-GOSISDBHSA-N 1 1 345.508 5.191 50 0 EKAAMO COc1ccc(C[N@H+]2CCCCC[C@H]2c2ccc(C)s2)c(OC)c1 ZINC000033087195 202249183 /nfs/dbraw/zinc/24/91/83/202249183.db2.gz AAFBFGHUCCUPSU-SFHVURJKSA-N 1 1 345.508 5.191 50 0 EKAAMO CCCOc1ccc(C[N@H+]2CCCCC[C@@H]2c2cccs2)cc1 ZINC000033087238 202249607 /nfs/dbraw/zinc/24/96/07/202249607.db2.gz YSMYTPLGQWFXIA-LJQANCHMSA-N 1 1 329.509 5.654 50 0 EKAAMO CCCOc1ccc(C[N@H+]2CCCCC[C@H]2c2cccs2)cc1 ZINC000033087239 202249405 /nfs/dbraw/zinc/24/94/05/202249405.db2.gz YSMYTPLGQWFXIA-IBGZPJMESA-N 1 1 329.509 5.654 50 0 EKAAMO COc1cccc(C[N@H+]2CCCCC[C@@H]2c2ccc(C)cc2)c1OC ZINC000033087252 563915004 /nfs/dbraw/zinc/91/50/04/563915004.db2.gz SHCNJHVOYXGOHU-HXUWFJFHSA-N 1 1 339.479 5.130 50 0 EKAAMO COc1cccc(C[N@H+]2CCCCC[C@H]2c2ccc(C)cc2)c1OC ZINC000033087253 563914934 /nfs/dbraw/zinc/91/49/34/563914934.db2.gz SHCNJHVOYXGOHU-FQEVSTJZSA-N 1 1 339.479 5.130 50 0 EKAAMO COc1cccc(C[N@H+]2CCCCC[C@@H]2c2cccc(C)c2)c1OC ZINC000033087254 563915186 /nfs/dbraw/zinc/91/51/86/563915186.db2.gz CHOIZHDIGCAKJL-HXUWFJFHSA-N 1 1 339.479 5.130 50 0 EKAAMO COc1cccc(C[N@H+]2CCCCC[C@H]2c2cccc(C)c2)c1OC ZINC000033087255 563915125 /nfs/dbraw/zinc/91/51/25/563915125.db2.gz CHOIZHDIGCAKJL-FQEVSTJZSA-N 1 1 339.479 5.130 50 0 EKAAMO COc1cccc(C[N@H+]2CCCCC[C@@H]2c2sccc2C)c1OC ZINC000033087260 563915135 /nfs/dbraw/zinc/91/51/35/563915135.db2.gz ZFPANEMSPOLRGT-QGZVFWFLSA-N 1 1 345.508 5.191 50 0 EKAAMO COc1cccc(C[N@H+]2CCCCC[C@H]2c2sccc2C)c1OC ZINC000033087261 563915081 /nfs/dbraw/zinc/91/50/81/563915081.db2.gz ZFPANEMSPOLRGT-KRWDZBQOSA-N 1 1 345.508 5.191 50 0 EKAAMO COc1cccc(C[N@H+]2CCCCC[C@@H]2c2ccc(C)s2)c1OC ZINC000033087262 202249672 /nfs/dbraw/zinc/24/96/72/202249672.db2.gz OQYUCARTAIIEIG-QGZVFWFLSA-N 1 1 345.508 5.191 50 0 EKAAMO COc1cccc(C[N@H+]2CCCCC[C@H]2c2ccc(C)s2)c1OC ZINC000033087263 563915118 /nfs/dbraw/zinc/91/51/18/563915118.db2.gz OQYUCARTAIIEIG-KRWDZBQOSA-N 1 1 345.508 5.191 50 0 EKAAMO CCOc1ccccc1C[N@H+]1CCCCC[C@@H]1c1sccc1C ZINC000033087268 563915099 /nfs/dbraw/zinc/91/50/99/563915099.db2.gz JNIDDCVZWWXRJE-GOSISDBHSA-N 1 1 329.509 5.573 50 0 EKAAMO CCOc1ccccc1C[N@H+]1CCCCC[C@H]1c1sccc1C ZINC000033087269 563915095 /nfs/dbraw/zinc/91/50/95/563915095.db2.gz JNIDDCVZWWXRJE-SFHVURJKSA-N 1 1 329.509 5.573 50 0 EKAAMO CCOc1ccccc1C[N@H+]1CCCCC[C@@H]1c1ccc(C)s1 ZINC000033087270 563915085 /nfs/dbraw/zinc/91/50/85/563915085.db2.gz VZWKQTBPCZEZNF-GOSISDBHSA-N 1 1 329.509 5.573 50 0 EKAAMO CCOc1ccccc1C[N@H+]1CCCCC[C@H]1c1ccc(C)s1 ZINC000033087271 202249503 /nfs/dbraw/zinc/24/95/03/202249503.db2.gz VZWKQTBPCZEZNF-SFHVURJKSA-N 1 1 329.509 5.573 50 0 EKAAMO CC(C)Oc1ccccc1C[N@H+]1CCCCC[C@@H]1c1cccs1 ZINC000033087286 563915071 /nfs/dbraw/zinc/91/50/71/563915071.db2.gz ZBFSHVMKGMRPMJ-GOSISDBHSA-N 1 1 329.509 5.653 50 0 EKAAMO CC(C)Oc1ccccc1C[N@H+]1CCCCC[C@H]1c1cccs1 ZINC000033087287 563915147 /nfs/dbraw/zinc/91/51/47/563915147.db2.gz ZBFSHVMKGMRPMJ-SFHVURJKSA-N 1 1 329.509 5.653 50 0 EKAAMO CCOc1ccc(C[N@H+]2CCCCC[C@@H]2c2cccs2)cc1OC ZINC000033087310 563915102 /nfs/dbraw/zinc/91/51/02/563915102.db2.gz JZXQDJOWNKKPSM-QGZVFWFLSA-N 1 1 345.508 5.273 50 0 EKAAMO CCOc1ccc(C[N@H+]2CCCCC[C@H]2c2cccs2)cc1OC ZINC000033087311 563915065 /nfs/dbraw/zinc/91/50/65/563915065.db2.gz JZXQDJOWNKKPSM-KRWDZBQOSA-N 1 1 345.508 5.273 50 0 EKAAMO CCCC[N@H+]1CC[C@H](O[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000033639111 563916338 /nfs/dbraw/zinc/91/63/38/563916338.db2.gz LDCAVJYDEQRFHB-SFTDATJTSA-N 1 1 343.898 5.320 50 0 EKAAMO CCCC[N@H+]1CC[C@@H](O[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000033639112 563916371 /nfs/dbraw/zinc/91/63/71/563916371.db2.gz LDCAVJYDEQRFHB-RTWAWAEBSA-N 1 1 343.898 5.320 50 0 EKAAMO CC(C)(C)[N@H+]1CC[C@H](O[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000033639148 563916367 /nfs/dbraw/zinc/91/63/67/563916367.db2.gz UIPXASUPMLVUNE-PMACEKPBSA-N 1 1 343.898 5.319 50 0 EKAAMO CC(C)(C)[N@H+]1CC[C@@H](O[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000033639149 563916335 /nfs/dbraw/zinc/91/63/35/563916335.db2.gz UIPXASUPMLVUNE-UXHICEINSA-N 1 1 343.898 5.319 50 0 EKAAMO C[N@@H+](Cc1ccccc1)Cc1cncc(-c2cc3ccccc3s2)c1 ZINC000034670307 563445235 /nfs/dbraw/zinc/44/52/35/563445235.db2.gz SBOWLCKNTOSJHW-UHFFFAOYSA-N 1 1 344.483 5.595 50 0 EKAAMO Cc1cc2c(cc1C)[C@H](Nc1ccc(Cl)c(Cl)c1)[NH2+]C(C)(C)C2 ZINC000035686395 213047277 /nfs/dbraw/zinc/04/72/77/213047277.db2.gz KLMJXRHDNMPJGS-GOSISDBHSA-N 1 1 349.305 5.645 50 0 EKAAMO Cc1cc2c(cc1C)[C@@H](Nc1ccc(Cl)c(Cl)c1)[NH2+]C(C)(C)C2 ZINC000035686396 213047463 /nfs/dbraw/zinc/04/74/63/213047463.db2.gz KLMJXRHDNMPJGS-SFHVURJKSA-N 1 1 349.305 5.645 50 0 EKAAMO Cc1ccccc1-c1[nH+]c2cccc(C)n2c1NCc1ccccc1 ZINC000035701956 213048103 /nfs/dbraw/zinc/04/81/03/213048103.db2.gz GXKKOSROXWDHMZ-UHFFFAOYSA-N 1 1 327.431 5.230 50 0 EKAAMO Cc1cccc(C)c1Nc1c(Cc2ccccc2)[nH+]c2cccc(C)n21 ZINC000035702006 213047973 /nfs/dbraw/zinc/04/79/73/213047973.db2.gz RODVLBOSUFLVTP-UHFFFAOYSA-N 1 1 341.458 5.594 50 0 EKAAMO Cc1cc2[nH+]c(C3CCCCC3)c(Nc3c(C)cccc3C)n2c(C)c1 ZINC000035702009 213047682 /nfs/dbraw/zinc/04/76/82/213047682.db2.gz OLCHSITTWVRXRM-UHFFFAOYSA-N 1 1 347.506 6.359 50 0 EKAAMO Cc1ccn2c(c1)[nH+]c(-c1ccccc1C)c2NC(C)(C)CC(C)(C)C ZINC000035702867 213047502 /nfs/dbraw/zinc/04/75/02/213047502.db2.gz LGUHDWUDLMGLDS-UHFFFAOYSA-N 1 1 349.522 6.245 50 0 EKAAMO CC(C)CC[N@@H+](Cc1cccn1Cc1ccccc1)Cc1ccccc1 ZINC000035840968 213050190 /nfs/dbraw/zinc/05/01/90/213050190.db2.gz PQJWWVNLDBHPBN-UHFFFAOYSA-N 1 1 346.518 5.585 50 0 EKAAMO CCC[N@H+](Cc1ccsc1)Cc1ccc(C(O)(CCC)CCC)o1 ZINC000036202931 202318592 /nfs/dbraw/zinc/31/85/92/202318592.db2.gz HGMAXKSDRBLDIT-UHFFFAOYSA-N 1 1 349.540 5.541 50 0 EKAAMO Cc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(C)cc2)cc1 ZINC000036347236 213086521 /nfs/dbraw/zinc/08/65/21/213086521.db2.gz SRSTXZBRJXZNGZ-QHCPKHFHSA-N 1 1 330.475 5.100 50 0 EKAAMO Cc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(C)cc2)cc1 ZINC000036347237 213084944 /nfs/dbraw/zinc/08/49/44/213084944.db2.gz SRSTXZBRJXZNGZ-HSZRJFAPSA-N 1 1 330.475 5.100 50 0 EKAAMO Cc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2C)cc1 ZINC000036347262 213085342 /nfs/dbraw/zinc/08/53/42/213085342.db2.gz ZCIKYJNLZMYMCQ-HSZRJFAPSA-N 1 1 330.475 5.100 50 0 EKAAMO Cc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2C)cc1 ZINC000036347263 213086433 /nfs/dbraw/zinc/08/64/33/213086433.db2.gz ZCIKYJNLZMYMCQ-QHCPKHFHSA-N 1 1 330.475 5.100 50 0 EKAAMO Clc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000036347446 213086458 /nfs/dbraw/zinc/08/64/58/213086458.db2.gz GSCVMXRFOCLLOK-NRFANRHFSA-N 1 1 336.866 5.137 50 0 EKAAMO Clc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000036347447 202321934 /nfs/dbraw/zinc/32/19/34/202321934.db2.gz GSCVMXRFOCLLOK-OAQYLSRUSA-N 1 1 336.866 5.137 50 0 EKAAMO Clc1cccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2)c1 ZINC000036347530 213087105 /nfs/dbraw/zinc/08/71/05/213087105.db2.gz CUTIPZZZJAUBIY-NRFANRHFSA-N 1 1 336.866 5.137 50 0 EKAAMO Clc1cccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2)c1 ZINC000036347531 213085207 /nfs/dbraw/zinc/08/52/07/213085207.db2.gz CUTIPZZZJAUBIY-OAQYLSRUSA-N 1 1 336.866 5.137 50 0 EKAAMO CCc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(F)cc2)cc1 ZINC000036347626 213085848 /nfs/dbraw/zinc/08/58/48/213085848.db2.gz ODRFMXJCKJHKQW-QHCPKHFHSA-N 1 1 348.465 5.185 50 0 EKAAMO CCc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(F)cc2)cc1 ZINC000036347627 213085715 /nfs/dbraw/zinc/08/57/15/213085715.db2.gz ODRFMXJCKJHKQW-HSZRJFAPSA-N 1 1 348.465 5.185 50 0 EKAAMO CCc1ccccc1C[N@H+]1CCCn2cccc2[C@@H]1c1ccc(F)cc1 ZINC000036347640 213085945 /nfs/dbraw/zinc/08/59/45/213085945.db2.gz GVORMFJVDHICEZ-QHCPKHFHSA-N 1 1 348.465 5.185 50 0 EKAAMO CCc1ccccc1C[N@H+]1CCCn2cccc2[C@H]1c1ccc(F)cc1 ZINC000036347641 213086254 /nfs/dbraw/zinc/08/62/54/213086254.db2.gz GVORMFJVDHICEZ-HSZRJFAPSA-N 1 1 348.465 5.185 50 0 EKAAMO CCc1ccccc1C[N@H+]1CCCn2cccc2[C@@H]1c1ccccc1F ZINC000036347851 213085648 /nfs/dbraw/zinc/08/56/48/213085648.db2.gz ICPYNZQFSAUXSP-QHCPKHFHSA-N 1 1 348.465 5.185 50 0 EKAAMO CCc1ccccc1C[N@H+]1CCCn2cccc2[C@H]1c1ccccc1F ZINC000036347852 202322011 /nfs/dbraw/zinc/32/20/11/202322011.db2.gz ICPYNZQFSAUXSP-HSZRJFAPSA-N 1 1 348.465 5.185 50 0 EKAAMO CC(C)c1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccccc2)cc1 ZINC000036347925 213086990 /nfs/dbraw/zinc/08/69/90/213086990.db2.gz DGRIESMYEGPKEM-DEOSSOPVSA-N 1 1 344.502 5.607 50 0 EKAAMO CC(C)c1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccccc2)cc1 ZINC000036347926 213085989 /nfs/dbraw/zinc/08/59/89/213085989.db2.gz DGRIESMYEGPKEM-XMMPIXPASA-N 1 1 344.502 5.607 50 0 EKAAMO CC(C)c1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000036348029 202322185 /nfs/dbraw/zinc/32/21/85/202322185.db2.gz MTWSZTPCMQIHGD-XMMPIXPASA-N 1 1 344.502 5.607 50 0 EKAAMO CC(C)c1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000036348030 213087116 /nfs/dbraw/zinc/08/71/16/213087116.db2.gz MTWSZTPCMQIHGD-DEOSSOPVSA-N 1 1 344.502 5.607 50 0 EKAAMO CCc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccc(C)cc2)cc1 ZINC000036348039 213086267 /nfs/dbraw/zinc/08/62/67/213086267.db2.gz HNNKOXLCCDZKLC-XMMPIXPASA-N 1 1 344.502 5.354 50 0 EKAAMO CCc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccc(C)cc2)cc1 ZINC000036348040 213085861 /nfs/dbraw/zinc/08/58/61/213085861.db2.gz HNNKOXLCCDZKLC-DEOSSOPVSA-N 1 1 344.502 5.354 50 0 EKAAMO CCc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000036348053 202321891 /nfs/dbraw/zinc/32/18/91/202321891.db2.gz BBBPIBHLQNANIY-HSZRJFAPSA-N 1 1 348.465 5.185 50 0 EKAAMO CCc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000036348054 202321604 /nfs/dbraw/zinc/32/16/04/202321604.db2.gz BBBPIBHLQNANIY-QHCPKHFHSA-N 1 1 348.465 5.185 50 0 EKAAMO CCc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2F)cc1 ZINC000036348063 213086803 /nfs/dbraw/zinc/08/68/03/213086803.db2.gz RGXQAGVTZWTFSK-HSZRJFAPSA-N 1 1 348.465 5.185 50 0 EKAAMO CCc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2F)cc1 ZINC000036348064 213085281 /nfs/dbraw/zinc/08/52/81/213085281.db2.gz RGXQAGVTZWTFSK-QHCPKHFHSA-N 1 1 348.465 5.185 50 0 EKAAMO CCc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000036348067 213086372 /nfs/dbraw/zinc/08/63/72/213086372.db2.gz CSCIZPYUCUCFBR-HSZRJFAPSA-N 1 1 330.475 5.046 50 0 EKAAMO CCc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000036348068 202321199 /nfs/dbraw/zinc/32/11/99/202321199.db2.gz CSCIZPYUCUCFBR-QHCPKHFHSA-N 1 1 330.475 5.046 50 0 EKAAMO CCc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cccc(F)c2)cc1 ZINC000036348075 213086443 /nfs/dbraw/zinc/08/64/43/213086443.db2.gz HMLQHABFZSHRCM-HSZRJFAPSA-N 1 1 348.465 5.185 50 0 EKAAMO CCc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cccc(F)c2)cc1 ZINC000036348076 213086167 /nfs/dbraw/zinc/08/61/67/213086167.db2.gz HMLQHABFZSHRCM-QHCPKHFHSA-N 1 1 348.465 5.185 50 0 EKAAMO CCc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2C)cc1 ZINC000036348077 213085938 /nfs/dbraw/zinc/08/59/38/213085938.db2.gz YOFXZHUADUOEKB-XMMPIXPASA-N 1 1 344.502 5.354 50 0 EKAAMO CCc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2C)cc1 ZINC000036348078 213086147 /nfs/dbraw/zinc/08/61/47/213086147.db2.gz YOFXZHUADUOEKB-DEOSSOPVSA-N 1 1 344.502 5.354 50 0 EKAAMO CCc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cccc(C)c2)cc1 ZINC000036348081 213085141 /nfs/dbraw/zinc/08/51/41/213085141.db2.gz GCWHYSTVWITVJY-XMMPIXPASA-N 1 1 344.502 5.354 50 0 EKAAMO CCc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cccc(C)c2)cc1 ZINC000036348082 202322214 /nfs/dbraw/zinc/32/22/14/202322214.db2.gz GCWHYSTVWITVJY-DEOSSOPVSA-N 1 1 344.502 5.354 50 0 EKAAMO Cc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2cc(C)ccc2C)cc1 ZINC000036348107 213087035 /nfs/dbraw/zinc/08/70/35/213087035.db2.gz QOLGAJRXLTUDKV-DEOSSOPVSA-N 1 1 344.502 5.409 50 0 EKAAMO Cc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2cc(C)ccc2C)cc1 ZINC000036348108 213085103 /nfs/dbraw/zinc/08/51/03/213085103.db2.gz QOLGAJRXLTUDKV-XMMPIXPASA-N 1 1 344.502 5.409 50 0 EKAAMO Cc1ccc(C)c([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2F)c1 ZINC000036348125 213084960 /nfs/dbraw/zinc/08/49/60/213084960.db2.gz RAUFOUUWKFVESA-HSZRJFAPSA-N 1 1 348.465 5.239 50 0 EKAAMO Cc1ccc(C)c([C@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2F)c1 ZINC000036348126 213085168 /nfs/dbraw/zinc/08/51/68/213085168.db2.gz RAUFOUUWKFVESA-QHCPKHFHSA-N 1 1 348.465 5.239 50 0 EKAAMO Cc1cccc(C[N@H+]2CCCn3cccc3[C@@H]2c2cc(C)ccc2C)c1 ZINC000036348139 213085526 /nfs/dbraw/zinc/08/55/26/213085526.db2.gz QSJLGYUBJDGJRA-DEOSSOPVSA-N 1 1 344.502 5.409 50 0 EKAAMO Cc1cccc(C[N@H+]2CCCn3cccc3[C@H]2c2cc(C)ccc2C)c1 ZINC000036348140 213085225 /nfs/dbraw/zinc/08/52/25/213085225.db2.gz QSJLGYUBJDGJRA-XMMPIXPASA-N 1 1 344.502 5.409 50 0 EKAAMO CCc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2cccc(F)c2)cc1 ZINC000036348249 213085581 /nfs/dbraw/zinc/08/55/81/213085581.db2.gz QQUNPKZLZCPSHA-QHCPKHFHSA-N 1 1 348.465 5.185 50 0 EKAAMO CCc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2cccc(F)c2)cc1 ZINC000036348250 213086219 /nfs/dbraw/zinc/08/62/19/213086219.db2.gz QQUNPKZLZCPSHA-HSZRJFAPSA-N 1 1 348.465 5.185 50 0 EKAAMO Cc1cccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccccc2C)c1 ZINC000036348309 213086184 /nfs/dbraw/zinc/08/61/84/213086184.db2.gz VMTPTKMNMACRPK-QHCPKHFHSA-N 1 1 330.475 5.100 50 0 EKAAMO Cc1cccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccccc2C)c1 ZINC000036348310 202321516 /nfs/dbraw/zinc/32/15/16/202321516.db2.gz VMTPTKMNMACRPK-HSZRJFAPSA-N 1 1 330.475 5.100 50 0 EKAAMO Cc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccccc2C)c(C)c1 ZINC000036348311 213085788 /nfs/dbraw/zinc/08/57/88/213085788.db2.gz NLPCKHZPIYOUDK-DEOSSOPVSA-N 1 1 344.502 5.409 50 0 EKAAMO Cc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccccc2C)c(C)c1 ZINC000036348312 213086559 /nfs/dbraw/zinc/08/65/59/213086559.db2.gz NLPCKHZPIYOUDK-XMMPIXPASA-N 1 1 344.502 5.409 50 0 EKAAMO Cc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2cccc(C)c2)cc1 ZINC000036348365 213086817 /nfs/dbraw/zinc/08/68/17/213086817.db2.gz DKKKTUZRXZZZTK-QHCPKHFHSA-N 1 1 330.475 5.100 50 0 EKAAMO Cc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2cccc(C)c2)cc1 ZINC000036348366 213085086 /nfs/dbraw/zinc/08/50/86/213085086.db2.gz DKKKTUZRXZZZTK-HSZRJFAPSA-N 1 1 330.475 5.100 50 0 EKAAMO Cc1cccc(C[N@H+]2CCCn3cccc3[C@@H]2c2cccc(C)c2)c1 ZINC000036348401 213085010 /nfs/dbraw/zinc/08/50/10/213085010.db2.gz VCPCOHFVCRVIJW-QHCPKHFHSA-N 1 1 330.475 5.100 50 0 EKAAMO Cc1cccc(C[N@H+]2CCCn3cccc3[C@H]2c2cccc(C)c2)c1 ZINC000036348402 213085513 /nfs/dbraw/zinc/08/55/13/213085513.db2.gz VCPCOHFVCRVIJW-HSZRJFAPSA-N 1 1 330.475 5.100 50 0 EKAAMO Cc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cccc(F)c2)c(C)c1 ZINC000036348474 213086195 /nfs/dbraw/zinc/08/61/95/213086195.db2.gz AYTIHWWOKMRHLL-HSZRJFAPSA-N 1 1 348.465 5.239 50 0 EKAAMO Cc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cccc(F)c2)c(C)c1 ZINC000036348475 213085395 /nfs/dbraw/zinc/08/53/95/213085395.db2.gz AYTIHWWOKMRHLL-QHCPKHFHSA-N 1 1 348.465 5.239 50 0 EKAAMO Cc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2c(C)cccc2C)cc1 ZINC000037522221 213152946 /nfs/dbraw/zinc/15/29/46/213152946.db2.gz MIJVFIGKYBYHQK-XMMPIXPASA-N 1 1 344.502 5.409 50 0 EKAAMO Cc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2c(C)cccc2C)cc1 ZINC000037522222 213153232 /nfs/dbraw/zinc/15/32/32/213153232.db2.gz MIJVFIGKYBYHQK-DEOSSOPVSA-N 1 1 344.502 5.409 50 0 EKAAMO Cc1cccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(C)c(C)c2)c1 ZINC000037522283 213152789 /nfs/dbraw/zinc/15/27/89/213152789.db2.gz HQTFDLWFVWKZOX-DEOSSOPVSA-N 1 1 344.502 5.409 50 0 EKAAMO Cc1cccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(C)c(C)c2)c1 ZINC000037522284 213153486 /nfs/dbraw/zinc/15/34/86/213153486.db2.gz HQTFDLWFVWKZOX-XMMPIXPASA-N 1 1 344.502 5.409 50 0 EKAAMO Cc1cc(C)cc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccccc2)c1 ZINC000037522389 213153543 /nfs/dbraw/zinc/15/35/43/213153543.db2.gz XHOADLLXBRMAEW-QHCPKHFHSA-N 1 1 330.475 5.100 50 0 EKAAMO Cc1cc(C)cc(C[N@H+]2CCCn3cccc3[C@H]2c2ccccc2)c1 ZINC000037522390 213153300 /nfs/dbraw/zinc/15/33/00/213153300.db2.gz XHOADLLXBRMAEW-HSZRJFAPSA-N 1 1 330.475 5.100 50 0 EKAAMO CC(C)c1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccncc2)cc1 ZINC000037522395 213152695 /nfs/dbraw/zinc/15/26/95/213152695.db2.gz BPIMDFAOIVOOGG-HSZRJFAPSA-N 1 1 345.490 5.002 50 0 EKAAMO CC(C)c1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccncc2)cc1 ZINC000037522396 202345652 /nfs/dbraw/zinc/34/56/52/202345652.db2.gz BPIMDFAOIVOOGG-QHCPKHFHSA-N 1 1 345.490 5.002 50 0 EKAAMO Cc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cc(C)cc(C)c2)cc1 ZINC000037522407 213152709 /nfs/dbraw/zinc/15/27/09/213152709.db2.gz FPACLVOCYSDCTH-XMMPIXPASA-N 1 1 344.502 5.409 50 0 EKAAMO Cc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cc(C)cc(C)c2)cc1 ZINC000037522408 213153589 /nfs/dbraw/zinc/15/35/89/213153589.db2.gz FPACLVOCYSDCTH-DEOSSOPVSA-N 1 1 344.502 5.409 50 0 EKAAMO CCCC[N@H+]1CCCn2cccc2[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000037522455 213153030 /nfs/dbraw/zinc/15/30/30/213153030.db2.gz NSUKLBLRJXGIPN-SFHVURJKSA-N 1 1 336.401 5.102 50 0 EKAAMO CCCC[N@H+]1CCCn2cccc2[C@H]1c1cccc(C(F)(F)F)c1 ZINC000037522456 202345723 /nfs/dbraw/zinc/34/57/23/202345723.db2.gz NSUKLBLRJXGIPN-GOSISDBHSA-N 1 1 336.401 5.102 50 0 EKAAMO CC(C)c1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccco2)cc1 ZINC000037522642 213153520 /nfs/dbraw/zinc/15/35/20/213153520.db2.gz ILVZUMBKWDTQTP-JOCHJYFZSA-N 1 1 334.463 5.200 50 0 EKAAMO CC(C)c1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccco2)cc1 ZINC000037522643 213153474 /nfs/dbraw/zinc/15/34/74/213153474.db2.gz ILVZUMBKWDTQTP-QFIPXVFZSA-N 1 1 334.463 5.200 50 0 EKAAMO CC(C)(C)c1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccco2)cc1 ZINC000037522931 213152933 /nfs/dbraw/zinc/15/29/33/213152933.db2.gz MEEKQJFIJKSKAM-JOCHJYFZSA-N 1 1 348.490 5.374 50 0 EKAAMO CC(C)(C)c1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccco2)cc1 ZINC000037522932 213152916 /nfs/dbraw/zinc/15/29/16/213152916.db2.gz MEEKQJFIJKSKAM-QFIPXVFZSA-N 1 1 348.490 5.374 50 0 EKAAMO Cc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cccs2)cc1C ZINC000037523149 213153150 /nfs/dbraw/zinc/15/31/50/213153150.db2.gz LRANWTBVCSXSNB-OAQYLSRUSA-N 1 1 336.504 5.162 50 0 EKAAMO Cc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cccs2)cc1C ZINC000037523150 213153318 /nfs/dbraw/zinc/15/33/18/213153318.db2.gz LRANWTBVCSXSNB-NRFANRHFSA-N 1 1 336.504 5.162 50 0 EKAAMO Cc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccsc2)cc1C ZINC000037523153 213152631 /nfs/dbraw/zinc/15/26/31/213152631.db2.gz FGBNPZQYRMDYRZ-OAQYLSRUSA-N 1 1 336.504 5.162 50 0 EKAAMO Cc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccsc2)cc1C ZINC000037523154 213153613 /nfs/dbraw/zinc/15/36/13/213153613.db2.gz FGBNPZQYRMDYRZ-NRFANRHFSA-N 1 1 336.504 5.162 50 0 EKAAMO Cc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cccc(F)c2)cc1C ZINC000037523155 202345381 /nfs/dbraw/zinc/34/53/81/202345381.db2.gz GJRHNVFSMJFTIM-HSZRJFAPSA-N 1 1 348.465 5.239 50 0 EKAAMO Cc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cccc(F)c2)cc1C ZINC000037523156 213152594 /nfs/dbraw/zinc/15/25/94/213152594.db2.gz GJRHNVFSMJFTIM-QHCPKHFHSA-N 1 1 348.465 5.239 50 0 EKAAMO Cc1cc(C)cc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccccc2F)c1 ZINC000037523337 213152882 /nfs/dbraw/zinc/15/28/82/213152882.db2.gz IXUWNLOBHZCAKR-QHCPKHFHSA-N 1 1 348.465 5.239 50 0 EKAAMO Cc1cc(C)cc(C[N@H+]2CCCn3cccc3[C@H]2c2ccccc2F)c1 ZINC000037523338 213152682 /nfs/dbraw/zinc/15/26/82/213152682.db2.gz IXUWNLOBHZCAKR-HSZRJFAPSA-N 1 1 348.465 5.239 50 0 EKAAMO Cc1ccc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccccc2)cc1C ZINC000037523341 213153286 /nfs/dbraw/zinc/15/32/86/213153286.db2.gz WHAVLPUXHWROCY-QHCPKHFHSA-N 1 1 330.475 5.100 50 0 EKAAMO Cc1ccc(C[N@H+]2CCCn3cccc3[C@H]2c2ccccc2)cc1C ZINC000037523342 213153208 /nfs/dbraw/zinc/15/32/08/213153208.db2.gz WHAVLPUXHWROCY-HSZRJFAPSA-N 1 1 330.475 5.100 50 0 EKAAMO CC(C)c1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cccnc2)cc1 ZINC000037523347 213153113 /nfs/dbraw/zinc/15/31/13/213153113.db2.gz FKHHTEVKLYZOAS-HSZRJFAPSA-N 1 1 345.490 5.002 50 0 EKAAMO CC(C)c1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2cccnc2)cc1 ZINC000037523348 213153664 /nfs/dbraw/zinc/15/36/64/213153664.db2.gz FKHHTEVKLYZOAS-QHCPKHFHSA-N 1 1 345.490 5.002 50 0 EKAAMO Cc1cc(C)cc(C[N@H+]2CCCn3cccc3[C@@H]2c2ccc(F)cc2)c1 ZINC000037523515 202345428 /nfs/dbraw/zinc/34/54/28/202345428.db2.gz VPNNPHYTYNXLIN-QHCPKHFHSA-N 1 1 348.465 5.239 50 0 EKAAMO Cc1cc(C)cc(C[N@H+]2CCCn3cccc3[C@H]2c2ccc(F)cc2)c1 ZINC000037523516 202345036 /nfs/dbraw/zinc/34/50/36/202345036.db2.gz VPNNPHYTYNXLIN-HSZRJFAPSA-N 1 1 348.465 5.239 50 0 EKAAMO Cc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccc(F)cc2)cc1C ZINC000037523543 213152608 /nfs/dbraw/zinc/15/26/08/213152608.db2.gz OFOIWNLTDRVIIA-HSZRJFAPSA-N 1 1 348.465 5.239 50 0 EKAAMO Cc1ccc([C@H]2c3cccn3CCC[N@@H+]2Cc2ccc(F)cc2)cc1C ZINC000037523544 213152569 /nfs/dbraw/zinc/15/25/69/213152569.db2.gz OFOIWNLTDRVIIA-QHCPKHFHSA-N 1 1 348.465 5.239 50 0 EKAAMO C[C@@H]1CCCC[N@H+]1Cc1cncc(-c2cccc(C(F)(F)F)c2)c1 ZINC000037553829 213155847 /nfs/dbraw/zinc/15/58/47/213155847.db2.gz BGLLQQHSGNMSHG-CQSZACIVSA-N 1 1 334.385 5.142 50 0 EKAAMO C[C@H]1CCCC[N@H+]1Cc1cncc(-c2cccc(C(F)(F)F)c2)c1 ZINC000037553830 202347251 /nfs/dbraw/zinc/34/72/51/202347251.db2.gz BGLLQQHSGNMSHG-AWEZNQCLSA-N 1 1 334.385 5.142 50 0 EKAAMO C[C@@H]1CCCC[N@H+]1Cc1cncc(-c2ccc(-c3ccccc3)cc2)c1 ZINC000037553848 202347147 /nfs/dbraw/zinc/34/71/47/202347147.db2.gz RCROLXSPJYSXTB-LJQANCHMSA-N 1 1 342.486 5.790 50 0 EKAAMO C[C@H]1CCCC[N@H+]1Cc1cncc(-c2ccc(-c3ccccc3)cc2)c1 ZINC000037553849 213157146 /nfs/dbraw/zinc/15/71/46/213157146.db2.gz RCROLXSPJYSXTB-IBGZPJMESA-N 1 1 342.486 5.790 50 0 EKAAMO CC(C)c1ccc(C[N@H+]2CCN3CCC[C@@H]3[C@@H]2C2CCCCC2)cc1 ZINC000039769786 563919513 /nfs/dbraw/zinc/91/95/13/563919513.db2.gz JBQUZOGCDRDURA-PKTZIBPZSA-N 1 1 340.555 5.039 50 0 EKAAMO CC(C)c1ccc(C[N@@H+]2CCN3CCC[C@@H]3[C@@H]2C2CCCCC2)cc1 ZINC000039769786 563919511 /nfs/dbraw/zinc/91/95/11/563919511.db2.gz JBQUZOGCDRDURA-PKTZIBPZSA-N 1 1 340.555 5.039 50 0 EKAAMO CC(C)c1ccc(CN2CC[N@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)cc1 ZINC000039769786 563919510 /nfs/dbraw/zinc/91/95/10/563919510.db2.gz JBQUZOGCDRDURA-PKTZIBPZSA-N 1 1 340.555 5.039 50 0 EKAAMO c1ccc2cc(C[N@H+]3CCN4CCC[C@@H]4[C@@H]3C3CCCCC3)ccc2c1 ZINC000039769802 213241716 /nfs/dbraw/zinc/24/17/16/213241716.db2.gz IKAFQONNWBCPOP-RPWUZVMVSA-N 1 1 348.534 5.069 50 0 EKAAMO c1ccc2cc(C[N@@H+]3CCN4CCC[C@@H]4[C@@H]3C3CCCCC3)ccc2c1 ZINC000039769802 213241714 /nfs/dbraw/zinc/24/17/14/213241714.db2.gz IKAFQONNWBCPOP-RPWUZVMVSA-N 1 1 348.534 5.069 50 0 EKAAMO c1ccc2cc(CN3CC[N@H+]4CCC[C@@H]4[C@@H]3C3CCCCC3)ccc2c1 ZINC000039769802 213241711 /nfs/dbraw/zinc/24/17/11/213241711.db2.gz IKAFQONNWBCPOP-RPWUZVMVSA-N 1 1 348.534 5.069 50 0 EKAAMO Cc1ccc(C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)cc1 ZINC000039969204 213246511 /nfs/dbraw/zinc/24/65/11/213246511.db2.gz MMZOJRBTWBMTRU-UHFFFAOYSA-N 1 1 336.479 5.012 50 0 EKAAMO c1csc([C@H]2CCC[N@@H+]2Cc2csc(Nc3ccccc3)n2)c1 ZINC000040161563 213276651 /nfs/dbraw/zinc/27/66/51/213276651.db2.gz AOGGAADGHPVNDT-MRXNPFEDSA-N 1 1 341.505 5.285 50 0 EKAAMO c1csc([C@H]2CCC[N@H+]2Cc2csc(Nc3ccccc3)n2)c1 ZINC000040161563 213276648 /nfs/dbraw/zinc/27/66/48/213276648.db2.gz AOGGAADGHPVNDT-MRXNPFEDSA-N 1 1 341.505 5.285 50 0 EKAAMO c1csc([C@@H]2CCC[N@@H+]2Cc2csc(Nc3ccccc3)n2)c1 ZINC000040161564 564168488 /nfs/dbraw/zinc/16/84/88/564168488.db2.gz AOGGAADGHPVNDT-INIZCTEOSA-N 1 1 341.505 5.285 50 0 EKAAMO c1csc([C@@H]2CCC[N@H+]2Cc2csc(Nc3ccccc3)n2)c1 ZINC000040161564 564168487 /nfs/dbraw/zinc/16/84/87/564168487.db2.gz AOGGAADGHPVNDT-INIZCTEOSA-N 1 1 341.505 5.285 50 0 EKAAMO Cc1cccc(COc2ccc(Cl)cc2C[NH2+]Cc2ccco2)c1 ZINC000040742932 213380006 /nfs/dbraw/zinc/38/00/06/213380006.db2.gz REKRCFMPISIXHU-UHFFFAOYSA-N 1 1 341.838 5.110 50 0 EKAAMO Cc1ccccc1COc1ccc(Cl)cc1C[NH2+]Cc1ccco1 ZINC000040743005 213380210 /nfs/dbraw/zinc/38/02/10/213380210.db2.gz FCROLGSJJAQCPR-UHFFFAOYSA-N 1 1 341.838 5.110 50 0 EKAAMO Cc1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000048261304 564030287 /nfs/dbraw/zinc/03/02/87/564030287.db2.gz YYNPBUMQBIIOQJ-HXUWFJFHSA-N 1 1 336.410 5.126 50 0 EKAAMO Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000048261304 564030286 /nfs/dbraw/zinc/03/02/86/564030286.db2.gz YYNPBUMQBIIOQJ-HXUWFJFHSA-N 1 1 336.410 5.126 50 0 EKAAMO Cc1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000048261306 564030311 /nfs/dbraw/zinc/03/03/11/564030311.db2.gz YYNPBUMQBIIOQJ-FQEVSTJZSA-N 1 1 336.410 5.126 50 0 EKAAMO Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000048261306 564030310 /nfs/dbraw/zinc/03/03/10/564030310.db2.gz YYNPBUMQBIIOQJ-FQEVSTJZSA-N 1 1 336.410 5.126 50 0 EKAAMO Clc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3ccsc3)co2)cc1 ZINC000048278127 564030642 /nfs/dbraw/zinc/03/06/42/564030642.db2.gz YMWSJXOWFKGEPY-QGZVFWFLSA-N 1 1 344.867 5.394 50 0 EKAAMO Clc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3ccsc3)co2)cc1 ZINC000048278127 564030641 /nfs/dbraw/zinc/03/06/41/564030641.db2.gz YMWSJXOWFKGEPY-QGZVFWFLSA-N 1 1 344.867 5.394 50 0 EKAAMO Clc1ccc(-c2nc(C[N@H+]3CCC[C@H]3c3ccsc3)co2)cc1 ZINC000048278130 564030627 /nfs/dbraw/zinc/03/06/27/564030627.db2.gz YMWSJXOWFKGEPY-KRWDZBQOSA-N 1 1 344.867 5.394 50 0 EKAAMO Clc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3c3ccsc3)co2)cc1 ZINC000048278130 564030626 /nfs/dbraw/zinc/03/06/26/564030626.db2.gz YMWSJXOWFKGEPY-KRWDZBQOSA-N 1 1 344.867 5.394 50 0 EKAAMO Cc1ccc(-c2nc(C[N@H+]3CCC[C@@H]3c3ccsc3)co2)c(C)c1 ZINC000048285791 564030703 /nfs/dbraw/zinc/03/07/03/564030703.db2.gz NDVLXZMGJFVHHR-LJQANCHMSA-N 1 1 338.476 5.357 50 0 EKAAMO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3c3ccsc3)co2)c(C)c1 ZINC000048285791 564030702 /nfs/dbraw/zinc/03/07/02/564030702.db2.gz NDVLXZMGJFVHHR-LJQANCHMSA-N 1 1 338.476 5.357 50 0 EKAAMO Cc1ccc(-c2nc(C[N@H+]3CCC[C@H]3c3ccsc3)co2)c(C)c1 ZINC000048285793 564030686 /nfs/dbraw/zinc/03/06/86/564030686.db2.gz NDVLXZMGJFVHHR-IBGZPJMESA-N 1 1 338.476 5.357 50 0 EKAAMO Cc1ccc(-c2nc(C[N@@H+]3CCC[C@H]3c3ccsc3)co2)c(C)c1 ZINC000048285793 564030685 /nfs/dbraw/zinc/03/06/85/564030685.db2.gz NDVLXZMGJFVHHR-IBGZPJMESA-N 1 1 338.476 5.357 50 0 EKAAMO Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1coc(-c2ccc(F)cc2)n1 ZINC000048286128 564030674 /nfs/dbraw/zinc/03/06/74/564030674.db2.gz BHBYKTPTXOUNAJ-FQEVSTJZSA-N 1 1 336.410 5.126 50 0 EKAAMO Cc1ccccc1[C@H]1CCC[N@H+]1Cc1coc(-c2ccc(F)cc2)n1 ZINC000048286130 564030697 /nfs/dbraw/zinc/03/06/97/564030697.db2.gz BHBYKTPTXOUNAJ-HXUWFJFHSA-N 1 1 336.410 5.126 50 0 EKAAMO c1csc(-c2nc(C[N@@H+]3CCC[C@H]3CCc3ccccc3)co2)c1 ZINC000048303676 564030718 /nfs/dbraw/zinc/03/07/18/564030718.db2.gz NEDVEHXSCZROHQ-SFHVURJKSA-N 1 1 338.476 5.000 50 0 EKAAMO c1csc(-c2nc(C[N@@H+]3CCC[C@@H]3CCc3ccccc3)co2)c1 ZINC000048303678 564030724 /nfs/dbraw/zinc/03/07/24/564030724.db2.gz NEDVEHXSCZROHQ-GOSISDBHSA-N 1 1 338.476 5.000 50 0 EKAAMO C[N@@H+](Cc1cc(-c2ccc(Cl)cc2)no1)[C@@H]1CCc2ccccc21 ZINC000048343927 564031271 /nfs/dbraw/zinc/03/12/71/564031271.db2.gz YBRBZUVJUQEVBP-HXUWFJFHSA-N 1 1 338.838 5.114 50 0 EKAAMO C[N@@H+](Cc1cc(-c2ccc(Cl)cc2)no1)[C@H]1CCc2ccccc21 ZINC000048343929 564031262 /nfs/dbraw/zinc/03/12/62/564031262.db2.gz YBRBZUVJUQEVBP-FQEVSTJZSA-N 1 1 338.838 5.114 50 0 EKAAMO CCC(C)(C)Cc1c[nH]c(CCc2ccc(-c3ccccn3)cc2)[nH+]1 ZINC000049070819 563930660 /nfs/dbraw/zinc/93/06/60/563930660.db2.gz WVAKRQOMAINQPU-UHFFFAOYSA-N 1 1 333.479 5.236 50 0 in-vitro EKAAMO c1coc(C[N@@H+](Cc2ccsc2)Cc2cccc3cnccc32)c1 ZINC000055053854 214268267 /nfs/dbraw/zinc/26/82/67/214268267.db2.gz OAEFIUHEWYSVAI-UHFFFAOYSA-N 1 1 334.444 5.092 50 0 EKAAMO c1coc(C[N@H+](Cc2ccsc2)Cc2cccc3cnccc32)c1 ZINC000055053854 214268264 /nfs/dbraw/zinc/26/82/64/214268264.db2.gz OAEFIUHEWYSVAI-UHFFFAOYSA-N 1 1 334.444 5.092 50 0 EKAAMO Cc1ccc2c(c1)c1c3n2CC[N@H+]([C@@H](C)c2ccccc2)[C@@H]3CCC1 ZINC000055421506 214323396 /nfs/dbraw/zinc/32/33/96/214323396.db2.gz GNVBGFAKJVJGJT-HTAPYJJXSA-N 1 1 330.475 5.404 50 0 EKAAMO Cc1ccc2c(c1)c1c3n2CC[N@@H+]([C@@H](C)c2ccccc2)[C@@H]3CCC1 ZINC000055421506 214323393 /nfs/dbraw/zinc/32/33/93/214323393.db2.gz GNVBGFAKJVJGJT-HTAPYJJXSA-N 1 1 330.475 5.404 50 0 EKAAMO Cc1ccc2c(c1)c1c3n2CC[N@H+]([C@@H](C)c2ccccc2)[C@H]3CCC1 ZINC000055421509 201134088 /nfs/dbraw/zinc/13/40/88/201134088.db2.gz GNVBGFAKJVJGJT-JTSKRJEESA-N 1 1 330.475 5.404 50 0 EKAAMO Cc1ccc2c(c1)c1c3n2CC[N@@H+]([C@@H](C)c2ccccc2)[C@H]3CCC1 ZINC000055421509 201134085 /nfs/dbraw/zinc/13/40/85/201134085.db2.gz GNVBGFAKJVJGJT-JTSKRJEESA-N 1 1 330.475 5.404 50 0 EKAAMO CCCCC[C@H]1C(=O)C[C@@H](c2ccccc2)[N@H+](C)[C@H]1c1ccccc1 ZINC000055433684 214323225 /nfs/dbraw/zinc/32/32/25/214323225.db2.gz MZWDNWGOALGHNY-FUDKSRODSA-N 1 1 335.491 5.570 50 0 EKAAMO CCCCC[C@H]1C(=O)C[C@@H](c2ccccc2)[N@@H+](C)[C@H]1c1ccccc1 ZINC000055433684 214323222 /nfs/dbraw/zinc/32/32/22/214323222.db2.gz MZWDNWGOALGHNY-FUDKSRODSA-N 1 1 335.491 5.570 50 0 EKAAMO CCCCC[C@@H]1C(=O)C[C@@H](c2ccccc2)[N@H+](C)[C@H]1c1ccccc1 ZINC000055433689 563934890 /nfs/dbraw/zinc/93/48/90/563934890.db2.gz MZWDNWGOALGHNY-GIWBLDEGSA-N 1 1 335.491 5.570 50 0 EKAAMO CCCCC[C@@H]1C(=O)C[C@@H](c2ccccc2)[N@@H+](C)[C@H]1c1ccccc1 ZINC000055433689 563934888 /nfs/dbraw/zinc/93/48/88/563934888.db2.gz MZWDNWGOALGHNY-GIWBLDEGSA-N 1 1 335.491 5.570 50 0 EKAAMO CCCCC[C@H]1C(=O)C[C@@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1 ZINC000055433690 563934898 /nfs/dbraw/zinc/93/48/98/563934898.db2.gz MZWDNWGOALGHNY-QNWVGRARSA-N 1 1 335.491 5.570 50 0 EKAAMO CCCCC[C@H]1C(=O)C[C@@H](c2ccccc2)[N@@H+](C)[C@@H]1c1ccccc1 ZINC000055433690 563934896 /nfs/dbraw/zinc/93/48/96/563934896.db2.gz MZWDNWGOALGHNY-QNWVGRARSA-N 1 1 335.491 5.570 50 0 EKAAMO CCCCC[C@@H]1C(=O)C[C@@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1 ZINC000055433694 563934923 /nfs/dbraw/zinc/93/49/23/563934923.db2.gz MZWDNWGOALGHNY-FUPPJEDESA-N 1 1 335.491 5.570 50 0 EKAAMO CCCCC[C@@H]1C(=O)C[C@@H](c2ccccc2)[N@@H+](C)[C@@H]1c1ccccc1 ZINC000055433694 563934921 /nfs/dbraw/zinc/93/49/21/563934921.db2.gz MZWDNWGOALGHNY-FUPPJEDESA-N 1 1 335.491 5.570 50 0 EKAAMO C[C@@H]1C(c2ccccc2)=C[C@@H](c2ccccc2)[N@H+](C)[C@H]1c1ccccc1 ZINC000057294281 564153464 /nfs/dbraw/zinc/15/34/64/564153464.db2.gz UZUCCSMLMFNSDR-BTZRARBUSA-N 1 1 339.482 6.134 50 0 EKAAMO C[C@@H]1C(c2ccccc2)=C[C@@H](c2ccccc2)[N@H+](C)[C@@H]1c1ccccc1 ZINC000057294285 564153494 /nfs/dbraw/zinc/15/34/94/564153494.db2.gz UZUCCSMLMFNSDR-NGXZDTIWSA-N 1 1 339.482 6.134 50 0 EKAAMO CC[N@H+](Cc1ccccc1)Cn1c(=S)sc2ccc(Cl)cc21 ZINC000057457819 564154354 /nfs/dbraw/zinc/15/43/54/564154354.db2.gz MDGOYZMQYDSHGM-UHFFFAOYSA-N 1 1 348.924 5.565 50 0 EKAAMO C[N@H+](Cc1ccccc1)Cn1c(=S)sc2ccc(Cl)cc21 ZINC000057457823 564154363 /nfs/dbraw/zinc/15/43/63/564154363.db2.gz OTZKHGNIOBYOHV-UHFFFAOYSA-N 1 1 334.897 5.175 50 0 EKAAMO C[N@@H+](Cc1ccccc1)Cn1c(=S)sc2ccc(Cl)cc21 ZINC000057457823 564154362 /nfs/dbraw/zinc/15/43/62/564154362.db2.gz OTZKHGNIOBYOHV-UHFFFAOYSA-N 1 1 334.897 5.175 50 0 EKAAMO c1ccc2sc([C@@H]3CCC[N@@H+]3Cc3cccc4cccnc43)nc2c1 ZINC000057856134 564156199 /nfs/dbraw/zinc/15/61/99/564156199.db2.gz WMTHLLMSQTWKOI-SFHVURJKSA-N 1 1 345.471 5.182 50 0 EKAAMO c1ccc2sc([C@H]3CCC[N@@H+]3Cc3cccc4cccnc43)nc2c1 ZINC000057856137 564156215 /nfs/dbraw/zinc/15/62/15/564156215.db2.gz WMTHLLMSQTWKOI-GOSISDBHSA-N 1 1 345.471 5.182 50 0 EKAAMO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000058045326 563936929 /nfs/dbraw/zinc/93/69/29/563936929.db2.gz CGXQDBJJTJDIAA-SFHVURJKSA-N 1 1 338.476 5.357 50 0 EKAAMO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000058045335 563936963 /nfs/dbraw/zinc/93/69/63/563936963.db2.gz CGXQDBJJTJDIAA-GOSISDBHSA-N 1 1 338.476 5.357 50 0 EKAAMO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000058081657 563937306 /nfs/dbraw/zinc/93/73/06/563937306.db2.gz QMZRARXWZTXVFT-OAHLLOKOSA-N 1 1 330.478 5.110 50 0 EKAAMO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000058081657 563937305 /nfs/dbraw/zinc/93/73/05/563937305.db2.gz QMZRARXWZTXVFT-OAHLLOKOSA-N 1 1 330.478 5.110 50 0 EKAAMO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000058081661 563937327 /nfs/dbraw/zinc/93/73/27/563937327.db2.gz QMZRARXWZTXVFT-HNNXBMFYSA-N 1 1 330.478 5.110 50 0 EKAAMO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000058081661 563937326 /nfs/dbraw/zinc/93/73/26/563937326.db2.gz QMZRARXWZTXVFT-HNNXBMFYSA-N 1 1 330.478 5.110 50 0 EKAAMO Cc1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@H]1c1ccccc1C ZINC000058419667 563945714 /nfs/dbraw/zinc/94/57/14/563945714.db2.gz BGMJSOJQSCTYOG-NRFANRHFSA-N 1 1 332.447 5.296 50 0 EKAAMO Cc1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@@H]1c1ccccc1C ZINC000058419668 563945696 /nfs/dbraw/zinc/94/56/96/563945696.db2.gz BGMJSOJQSCTYOG-OAQYLSRUSA-N 1 1 332.447 5.296 50 0 EKAAMO Clc1ccc(OC2C[NH+](C(c3ccccc3)c3ccccc3)C2)cc1 ZINC000059299557 563947955 /nfs/dbraw/zinc/94/79/55/563947955.db2.gz AMOXRAVWRRFAIC-UHFFFAOYSA-N 1 1 349.861 5.193 50 0 EKAAMO CCC[N@@H+](Cc1c(C)noc1C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000059350329 563948087 /nfs/dbraw/zinc/94/80/87/563948087.db2.gz SJVHLEUVLBFWMN-LBPRGKRZSA-N 1 1 341.282 5.571 50 0 EKAAMO CCC[N@@H+](Cc1c(C)noc1C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000059350330 563948044 /nfs/dbraw/zinc/94/80/44/563948044.db2.gz SJVHLEUVLBFWMN-GFCCVEGCSA-N 1 1 341.282 5.571 50 0 EKAAMO Cc1ccc2c(c1)c1c3n2CC[N@H+]([C@H](C)c2ccccc2)[C@H]3CCC1 ZINC000059408677 564087901 /nfs/dbraw/zinc/08/79/01/564087901.db2.gz GNVBGFAKJVJGJT-VGSWGCGISA-N 1 1 330.475 5.404 50 0 EKAAMO Cc1ccc2c(c1)c1c3n2CC[N@@H+]([C@H](C)c2ccccc2)[C@H]3CCC1 ZINC000059408677 564087900 /nfs/dbraw/zinc/08/79/00/564087900.db2.gz GNVBGFAKJVJGJT-VGSWGCGISA-N 1 1 330.475 5.404 50 0 EKAAMO Cc1noc(C)c1C[N@H+]([C@@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000059578080 564161567 /nfs/dbraw/zinc/16/15/67/564161567.db2.gz KZJTUJXMTCVUGZ-LBPRGKRZSA-N 1 1 338.373 5.036 50 0 EKAAMO Cc1noc(C)c1C[N@H+]([C@H](C)c1cccc(C(F)(F)F)c1)C1CC1 ZINC000059578082 564161558 /nfs/dbraw/zinc/16/15/58/564161558.db2.gz KZJTUJXMTCVUGZ-GFCCVEGCSA-N 1 1 338.373 5.036 50 0 EKAAMO C[N@@H+](CCCc1cc(-c2ccccc2)no1)Cc1ccc(Cl)s1 ZINC000060356452 563933033 /nfs/dbraw/zinc/93/30/33/563933033.db2.gz RSARVIRFXPNUGV-UHFFFAOYSA-N 1 1 346.883 5.121 50 0 EKAAMO Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]Cc1csc(-c2ccco2)n1 ZINC000063522420 564057728 /nfs/dbraw/zinc/05/77/28/564057728.db2.gz BLANLBYBGYFYDR-OAHLLOKOSA-N 1 1 342.464 5.108 50 0 EKAAMO CC(C)(C)c1cnc(C[N@H+]2CCC[C@H]2c2cccc3ccccc32)o1 ZINC000064637251 564094616 /nfs/dbraw/zinc/09/46/16/564094616.db2.gz SOHAIMWVIJPTBZ-IBGZPJMESA-N 1 1 334.463 5.462 50 0 EKAAMO CC(C)c1cc([C@@H]2CCC[N@H+]2Cc2ccc(C(F)(F)F)cc2)on1 ZINC000064984447 563957556 /nfs/dbraw/zinc/95/75/56/563957556.db2.gz LSSMGFZUSGGOGA-INIZCTEOSA-N 1 1 338.373 5.154 50 0 EKAAMO CC(C)c1cc([C@H]2CCC[N@H+]2Cc2ccc(C(F)(F)F)cc2)on1 ZINC000064984449 563957560 /nfs/dbraw/zinc/95/75/60/563957560.db2.gz 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COc1ccccc1C[NH2+][C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000071877724 564176315 /nfs/dbraw/zinc/17/63/15/564176315.db2.gz PNFGEVMFEGVWLO-QHCPKHFHSA-N 1 1 343.426 5.321 50 0 EKAAMO COc1ccccc1C[NH2+][C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000071877725 564176308 /nfs/dbraw/zinc/17/63/08/564176308.db2.gz PNFGEVMFEGVWLO-HSZRJFAPSA-N 1 1 343.426 5.321 50 0 EKAAMO C[C@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)c1ccc(Cl)c(Cl)c1 ZINC000072312285 563983900 /nfs/dbraw/zinc/98/39/00/563983900.db2.gz QRMQVLLKWRLZOC-LBPRGKRZSA-N 1 1 346.261 5.234 50 0 EKAAMO C[C@@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)c1ccc(Cl)c(Cl)c1 ZINC000072312286 563929291 /nfs/dbraw/zinc/92/92/91/563929291.db2.gz QRMQVLLKWRLZOC-GFCCVEGCSA-N 1 1 346.261 5.234 50 0 EKAAMO C[N@H+]1CCC[C@H](Oc2ccc(-c3cc(Cl)cc(Cl)c3)cc2)C1 ZINC000075286077 564081543 /nfs/dbraw/zinc/08/15/43/564081543.db2.gz KUDQMOQCCUIWNR-SFHVURJKSA-N 1 1 336.262 5.133 50 0 EKAAMO C[N@H+]1CCC[C@@H](Oc2ccc(-c3cc(Cl)cc(Cl)c3)cc2)C1 ZINC000075286079 564081560 /nfs/dbraw/zinc/08/15/60/564081560.db2.gz KUDQMOQCCUIWNR-GOSISDBHSA-N 1 1 336.262 5.133 50 0 EKAAMO CCC(CC)([NH2+]Cc1csc(C(C)C)n1)c1ccc(Cl)cc1 ZINC000075582841 564089663 /nfs/dbraw/zinc/08/96/63/564089663.db2.gz BSZYFRGLTDZEIX-UHFFFAOYSA-N 1 1 336.932 5.725 50 0 EKAAMO Cc1nnc([C@@H](C)[NH2+][C@@H](c2ccc(C3CCCCC3)cc2)C(C)C)o1 ZINC000077676158 564176787 /nfs/dbraw/zinc/17/67/87/564176787.db2.gz PIBYTIZMZOCTHG-FOIQADDNSA-N 1 1 341.499 5.474 50 0 EKAAMO Cc1nnc([C@H](C)[NH2+][C@@H](c2ccc(C3CCCCC3)cc2)C(C)C)o1 ZINC000077676160 564176823 /nfs/dbraw/zinc/17/68/23/564176823.db2.gz PIBYTIZMZOCTHG-MGPUTAFESA-N 1 1 341.499 5.474 50 0 EKAAMO Cc1nnc([C@@H](C)[NH2+][C@H](c2ccc(C3CCCCC3)cc2)C(C)C)o1 ZINC000077676161 564176817 /nfs/dbraw/zinc/17/68/17/564176817.db2.gz PIBYTIZMZOCTHG-QRWLVFNGSA-N 1 1 341.499 5.474 50 0 EKAAMO Cc1nnc([C@H](C)[NH2+][C@H](c2ccc(C3CCCCC3)cc2)C(C)C)o1 ZINC000077676163 564176820 /nfs/dbraw/zinc/17/68/20/564176820.db2.gz PIBYTIZMZOCTHG-YWZLYKJASA-N 1 1 341.499 5.474 50 0 EKAAMO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]Cc1cscn1 ZINC000078604292 217085821 /nfs/dbraw/zinc/08/58/21/217085821.db2.gz FSFPAAVZTBNOOR-SNVBAGLBSA-N 1 1 349.912 5.079 50 0 EKAAMO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]Cc1cscn1 ZINC000078604294 217085300 /nfs/dbraw/zinc/08/53/00/217085300.db2.gz FSFPAAVZTBNOOR-JTQLQIEISA-N 1 1 349.912 5.079 50 0 EKAAMO C[N@@H+](Cc1cc(-c2cccs2)on1)Cc1cccc2ccccc21 ZINC000083864200 564064027 /nfs/dbraw/zinc/06/40/27/564064027.db2.gz GIARVPQKFVCNDX-UHFFFAOYSA-N 1 1 334.444 5.188 50 0 EKAAMO C[N@H+](Cc1cc(-c2cccs2)on1)Cc1cccc2ccccc21 ZINC000083864200 564064026 /nfs/dbraw/zinc/06/40/26/564064026.db2.gz GIARVPQKFVCNDX-UHFFFAOYSA-N 1 1 334.444 5.188 50 0 EKAAMO Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]Cc1csc(-c2ccco2)n1 ZINC000084129165 564066821 /nfs/dbraw/zinc/06/68/21/564066821.db2.gz BLANLBYBGYFYDR-HNNXBMFYSA-N 1 1 342.464 5.108 50 0 EKAAMO c1csc(C2CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)c1 ZINC000085473475 564073533 /nfs/dbraw/zinc/07/35/33/564073533.db2.gz AZYWOIGOESMGHP-UHFFFAOYSA-N 1 1 340.517 5.251 50 0 EKAAMO Cc1ccc(C)c([C@@H](C)[NH2+]Cc2csc(Cc3ccccc3)n2)c1 ZINC000089612035 564112707 /nfs/dbraw/zinc/11/27/07/564112707.db2.gz DZEUSEWGKWGGGP-QGZVFWFLSA-N 1 1 336.504 5.202 50 0 EKAAMO Cc1ccc(C)c([C@H](C)[NH2+]Cc2csc(Cc3ccccc3)n2)c1 ZINC000089612036 564112719 /nfs/dbraw/zinc/11/27/19/564112719.db2.gz DZEUSEWGKWGGGP-KRWDZBQOSA-N 1 1 336.504 5.202 50 0 EKAAMO Clc1ccc2cccnc2c1C[N@@H+]1CC=C(c2cccs2)CC1 ZINC000089807898 564113934 /nfs/dbraw/zinc/11/39/34/564113934.db2.gz WIBMVNZWPRRNMX-UHFFFAOYSA-N 1 1 340.879 5.239 50 0 EKAAMO C[C@H]([NH2+][C@@H](c1ccccc1)c1ccccn1)c1cnc2ccsc2c1 ZINC000095419295 218359790 /nfs/dbraw/zinc/35/97/90/218359790.db2.gz SLQBXBFSLZOEOU-BTYIYWSLSA-N 1 1 345.471 5.132 50 0 EKAAMO C[C@@H]([NH2+][C@@H](c1ccccc1)c1ccccn1)c1cnc2ccsc2c1 ZINC000095419296 218359502 /nfs/dbraw/zinc/35/95/02/218359502.db2.gz SLQBXBFSLZOEOU-VFNWGFHPSA-N 1 1 345.471 5.132 50 0 EKAAMO C[C@H]([NH2+][C@H](c1ccccc1)c1ccccn1)c1cnc2ccsc2c1 ZINC000095419297 564139811 /nfs/dbraw/zinc/13/98/11/564139811.db2.gz SLQBXBFSLZOEOU-YCRPNKLZSA-N 1 1 345.471 5.132 50 0 EKAAMO C[C@@H]([NH2+][C@H](c1ccccc1)c1ccccn1)c1cnc2ccsc2c1 ZINC000095419298 218359598 /nfs/dbraw/zinc/35/95/98/218359598.db2.gz SLQBXBFSLZOEOU-QVKFZJNVSA-N 1 1 345.471 5.132 50 0 EKAAMO Cc1[nH+]cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1C ZINC000095836500 563977697 /nfs/dbraw/zinc/97/76/97/563977697.db2.gz PIFXUIIBYSDKKY-UHFFFAOYSA-N 1 1 338.454 5.340 50 0 EKAAMO CC(C)([NH2+]Cc1csc(-c2ccoc2)n1)c1ccc(Cl)cc1 ZINC000095953667 564142464 /nfs/dbraw/zinc/14/24/64/564142464.db2.gz JDPCICGLDWGJOR-UHFFFAOYSA-N 1 1 332.856 5.081 50 0 EKAAMO CC(C)([NH2+]Cc1ccc(-c2ccccc2Cl)s1)c1nccs1 ZINC000095960015 564142677 /nfs/dbraw/zinc/14/26/77/564142677.db2.gz HXHCJWWYBQUILP-UHFFFAOYSA-N 1 1 348.924 5.550 50 0 EKAAMO CC(C)(C)[N@@H+](CC(=O)c1cc2ccccc2s1)Cc1ccccc1 ZINC000096027634 564145034 /nfs/dbraw/zinc/14/50/34/564145034.db2.gz MBRWYZBUVBWHJF-UHFFFAOYSA-N 1 1 337.488 5.385 50 0 EKAAMO CC(C)(C)[N@H+](CC(=O)c1cc2ccccc2s1)Cc1ccccc1 ZINC000096027634 564145033 /nfs/dbraw/zinc/14/50/33/564145033.db2.gz MBRWYZBUVBWHJF-UHFFFAOYSA-N 1 1 337.488 5.385 50 0 EKAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CC/C=C(/c1cccs1)c1ccccc1 ZINC000096027821 564145055 /nfs/dbraw/zinc/14/50/55/564145055.db2.gz YZDBBELREPRMOV-VTLNYKCHSA-N 1 1 325.521 5.833 50 0 EKAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCC(O)(C1CCCCC1)C1CCCCC1 ZINC000096027834 564145073 /nfs/dbraw/zinc/14/50/73/564145073.db2.gz VKBKFFGANFYBAI-BGYRXZFFSA-N 1 1 349.603 5.921 50 0 EKAAMO Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000096478636 563955047 /nfs/dbraw/zinc/95/50/47/563955047.db2.gz KWRLXGURLWCHQB-CYBMUJFWSA-N 1 1 341.480 5.081 50 0 EKAAMO Cc1nc(C(C)C)sc1[C@H](C)[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000096478638 563955009 /nfs/dbraw/zinc/95/50/09/563955009.db2.gz KWRLXGURLWCHQB-ZDUSSCGKSA-N 1 1 341.480 5.081 50 0 EKAAMO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(-c3ccccc3Cl)o2)on1 ZINC000097717031 219050568 /nfs/dbraw/zinc/05/05/68/219050568.db2.gz QZLYDAQHIHSSMQ-QGZVFWFLSA-N 1 1 342.826 5.234 50 0 EKAAMO Cc1ccc2[nH+]c(-c3c[nH]c4ccccc34)c(NC3CCCCC3)n2c1 ZINC000101316671 219121819 /nfs/dbraw/zinc/12/18/19/219121819.db2.gz RNINRGSXPYCVEE-UHFFFAOYSA-N 1 1 344.462 5.536 50 0 EKAAMO CCCC[N@H+]1CC[C@H](O[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000101359056 563983020 /nfs/dbraw/zinc/98/30/20/563983020.db2.gz LDCAVJYDEQRFHB-LEWJYISDSA-N 1 1 343.898 5.320 50 0 EKAAMO CCCC[N@H+]1CC[C@@H](O[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000101359060 564129511 /nfs/dbraw/zinc/12/95/11/564129511.db2.gz LDCAVJYDEQRFHB-NHCUHLMSSA-N 1 1 343.898 5.320 50 0 EKAAMO CC(C)(C)[N@H+]1CC[C@@H](O[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000101359070 564129504 /nfs/dbraw/zinc/12/95/04/564129504.db2.gz UIPXASUPMLVUNE-WOJBJXKFSA-N 1 1 343.898 5.319 50 0 EKAAMO CC(C)(C)[N@H+]1CC[C@H](O[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000101359074 564032367 /nfs/dbraw/zinc/03/23/67/564032367.db2.gz UIPXASUPMLVUNE-VQTJNVASSA-N 1 1 343.898 5.319 50 0 EKAAMO c1ccc2cc(C[N@H+]3CCN4CCC[C@@H]4[C@H]3C3CCCCC3)ccc2c1 ZINC000101646075 219151086 /nfs/dbraw/zinc/15/10/86/219151086.db2.gz IKAFQONNWBCPOP-DNQXCXABSA-N 1 1 348.534 5.069 50 0 EKAAMO c1ccc2cc(C[N@@H+]3CCN4CCC[C@@H]4[C@H]3C3CCCCC3)ccc2c1 ZINC000101646075 219151084 /nfs/dbraw/zinc/15/10/84/219151084.db2.gz IKAFQONNWBCPOP-DNQXCXABSA-N 1 1 348.534 5.069 50 0 EKAAMO c1ccc2cc(CN3CC[N@H+]4CCC[C@@H]4[C@H]3C3CCCCC3)ccc2c1 ZINC000101646075 219151079 /nfs/dbraw/zinc/15/10/79/219151079.db2.gz IKAFQONNWBCPOP-DNQXCXABSA-N 1 1 348.534 5.069 50 0 EKAAMO Cc1ccc([C@@H]2CCC[N@H+]2Cc2ncc(-c3cccs3)o2)cc1C ZINC000170623425 564110449 /nfs/dbraw/zinc/11/04/49/564110449.db2.gz XOISJPIJZVAASO-KRWDZBQOSA-N 1 1 338.476 5.357 50 0 EKAAMO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2ncc(-c3cccs3)o2)cc1C ZINC000170623425 564110448 /nfs/dbraw/zinc/11/04/48/564110448.db2.gz XOISJPIJZVAASO-KRWDZBQOSA-N 1 1 338.476 5.357 50 0 EKAAMO Cc1ccc([C@H]2CCC[N@H+]2Cc2ncc(-c3cccs3)o2)cc1C ZINC000170623426 564110440 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Cc1ccccc1-c1nnc(C[NH2+][C@@H](C)c2cc3ccccc3s2)o1 ZINC000184382988 235383211 /nfs/dbraw/zinc/38/32/11/235383211.db2.gz YOCIRBFVAACMJI-AWEZNQCLSA-N 1 1 349.459 5.111 50 0 EKAAMO Cc1ccccc1-c1nnc(C[NH2+][C@H](C)c2cc3ccccc3s2)o1 ZINC000184383009 235382878 /nfs/dbraw/zinc/38/28/78/235382878.db2.gz YOCIRBFVAACMJI-CQSZACIVSA-N 1 1 349.459 5.111 50 0 EKAAMO CCc1ccc(C[N@@H+](C)[C@H](C)c2nc3ccccc3n2C(F)F)cc1 ZINC000225499931 564047310 /nfs/dbraw/zinc/04/73/10/564047310.db2.gz CRQGNYWWZKBWEL-CQSZACIVSA-N 1 1 343.421 5.187 50 0 EKAAMO CCc1ccc(C[N@H+](C)[C@H](C)c2nc3ccccc3n2C(F)F)cc1 ZINC000225499931 564047309 /nfs/dbraw/zinc/04/73/09/564047309.db2.gz CRQGNYWWZKBWEL-CQSZACIVSA-N 1 1 343.421 5.187 50 0 EKAAMO CCc1ccc(C[N@@H+](C)[C@@H](C)c2nc3ccccc3n2C(F)F)cc1 ZINC000225499964 564047290 /nfs/dbraw/zinc/04/72/90/564047290.db2.gz CRQGNYWWZKBWEL-AWEZNQCLSA-N 1 1 343.421 5.187 50 0 EKAAMO CCc1ccc(C[N@H+](C)[C@@H](C)c2nc3ccccc3n2C(F)F)cc1 ZINC000225499964 564047289 /nfs/dbraw/zinc/04/72/89/564047289.db2.gz 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