smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1cc(CNC[C@@H]2CCC[N@@H+]2CC)ccc1OCc1ccc(C)cc1 ZINC000022936769 570338594 /nfs/dbraw/zinc/33/85/94/570338594.db2.gz BQHMIVWASWZVRM-QFIPXVFZSA-N 1 1 382.548 4.547 10 0 GJAEMO CCOc1cc(CNC[C@@H]2CCC[N@H+]2CC)ccc1OCc1ccc(C)cc1 ZINC000022936769 570338596 /nfs/dbraw/zinc/33/85/96/570338596.db2.gz BQHMIVWASWZVRM-QFIPXVFZSA-N 1 1 382.548 4.547 10 0 GJAEMO COc1cc(OC)cc([C@H]2c3cccn3CCC[N@@H+]2Cc2cccc(C)c2)c1 ZINC000036347436 570628595 /nfs/dbraw/zinc/62/85/95/570628595.db2.gz YKEHJYIOMGCBNT-DEOSSOPVSA-N 1 1 376.500 4.809 10 0 GJAEMO COc1ccc(Cl)cc1C(=O)[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000011821189 221129991 /nfs/dbraw/zinc/12/99/91/221129991.db2.gz LUCZPERSXHKXDZ-QGZVFWFLSA-N 1 1 394.902 4.992 10 0 GJAEMO CSc1ccc2c(c1)N(CC[C@H]1CCCC[N@H+]1C)c1ccccc1[S@]2=O ZINC000005318446 560110998 /nfs/dbraw/zinc/11/09/98/560110998.db2.gz XLDFFVBQCMLXIE-DXPJPUQTSA-N 1 1 386.586 4.901 10 0 biogenic,in-vitro GJAEMO CC[N@@H+]1CCC[C@@H]1CNCc1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000022935880 570338347 /nfs/dbraw/zinc/33/83/47/570338347.db2.gz IRFBYZSSYTWIGH-HXUWFJFHSA-N 1 1 388.939 4.502 10 0 GJAEMO CC[N@H+]1CCC[C@@H]1CNCc1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000022935880 570338350 /nfs/dbraw/zinc/33/83/50/570338350.db2.gz IRFBYZSSYTWIGH-HXUWFJFHSA-N 1 1 388.939 4.502 10 0 GJAEMO C[C@H]1CCCC[N@H+]1CCCOC(=O)c1ccc(OCCc2ccccc2)cc1 ZINC000005751909 204150472 /nfs/dbraw/zinc/15/04/72/204150472.db2.gz QNLGJZLZHRDTBP-FQEVSTJZSA-N 1 1 381.516 4.729 10 0 GJAEMO O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)[C@@H]1CCC[N@@H+]1Cc1cccnc1 ZINC000095498246 211250283 /nfs/dbraw/zinc/25/02/83/211250283.db2.gz SFERGNHXDNXQTK-DEOSSOPVSA-N 1 1 396.494 4.833 10 0 GJAEMO O=C(Nc1cccc(-c2cc3ccccc3[nH]2)c1)[C@@H]1CCC[N@H+]1Cc1cccnc1 ZINC000095498246 211250287 /nfs/dbraw/zinc/25/02/87/211250287.db2.gz SFERGNHXDNXQTK-DEOSSOPVSA-N 1 1 396.494 4.833 10 0 GJAEMO CC(=O)N(CC(C)C)C[C@@H]1C[N@@H+](Cc2sccc2C)C[C@H]1c1ccccc1 ZINC000034740391 570327298 /nfs/dbraw/zinc/32/72/98/570327298.db2.gz XVIDBDSZUUMNIP-VXKWHMMOSA-N 1 1 384.589 4.777 10 0 GJAEMO CC[N@@H+]1CCC[C@@H]1CNCc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000035805186 570558311 /nfs/dbraw/zinc/55/83/11/570558311.db2.gz FQHPAPCYRHJZEA-CQSZACIVSA-N 1 1 397.744 4.936 10 0 GJAEMO CC[N@H+]1CCC[C@@H]1CNCc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000035805186 570558314 /nfs/dbraw/zinc/55/83/14/570558314.db2.gz FQHPAPCYRHJZEA-CQSZACIVSA-N 1 1 397.744 4.936 10 0 GJAEMO O=C(c1ccc(Cl)cc1)[C@@H]1CCC[N@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000012757679 210004077 /nfs/dbraw/zinc/00/40/77/210004077.db2.gz DQWOYLXISLTHQD-LJQANCHMSA-N 1 1 379.891 4.621 10 0 GJAEMO O=C(c1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000012757679 210004080 /nfs/dbraw/zinc/00/40/80/210004080.db2.gz DQWOYLXISLTHQD-LJQANCHMSA-N 1 1 379.891 4.621 10 0 GJAEMO COc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2C/C=C\c2ccccc2)ccc1O ZINC000006380987 204176391 /nfs/dbraw/zinc/17/63/91/204176391.db2.gz XOZQFEQVRDICDF-ZCJOVJJBSA-N 1 1 393.527 4.782 10 0 GJAEMO CCOc1c(C[NH2+]Cc2ccccc2Cl)cc(Br)cc1OC ZINC000010474090 204335645 /nfs/dbraw/zinc/33/56/45/204335645.db2.gz ZBXZINPNTLUXLE-UHFFFAOYSA-N 1 1 384.701 4.800 10 0 GJAEMO CCn1ccnc1C[NH2+]Cc1cn(-c2cc(C)ccc2C)nc1-c1ccccc1 ZINC000012303168 204392841 /nfs/dbraw/zinc/39/28/41/204392841.db2.gz VRMSZIGXIQEEBX-UHFFFAOYSA-N 1 1 385.515 4.662 10 0 GJAEMO COc1ccc(CC[N@@H+](C)C[C@H](c2ccc(OC)cc2)C2(O)CCCCC2)cc1 ZINC000077287251 205357488 /nfs/dbraw/zinc/35/74/88/205357488.db2.gz CJLLEDVZZJHJST-XMMPIXPASA-N 1 1 397.559 4.657 10 0 in-vitro GJAEMO Clc1ccc([C@H]([C@@H](c2ccccc2)c2ccncc2)[NH+]2CCOCC2)cc1 ZINC000015784053 209234871 /nfs/dbraw/zinc/23/48/71/209234871.db2.gz FXFVKGWWGFQVOI-XZOQPEGZSA-N 1 1 378.903 4.940 10 0 GJAEMO CCCCc1nc2cc(C(=O)N3CCCC[C@@H]3CCn3cc[nH+]c3C)ccc2o1 ZINC000011819943 204355157 /nfs/dbraw/zinc/35/51/57/204355157.db2.gz SIRIQJHHXCSCJB-LJQANCHMSA-N 1 1 394.519 4.760 10 0 GJAEMO Fc1ccccc1-c1nccnc1[C@H]1CCC[N@@H+](CCOc2ccccc2)C1 ZINC000072358885 205031402 /nfs/dbraw/zinc/03/14/02/205031402.db2.gz NHEVWMZFJZYXJH-SFHVURJKSA-N 1 1 377.463 4.541 10 0 GJAEMO CC(=O)N(CC(C)C)C[C@H]1C[N@@H+](Cc2sccc2C)C[C@H]1c1ccccc1 ZINC000034740390 570327340 /nfs/dbraw/zinc/32/73/40/570327340.db2.gz XVIDBDSZUUMNIP-YADHBBJMSA-N 1 1 384.589 4.777 10 0 GJAEMO C[N@H+]1Cc2sc(Br)cc2[C@H](c2ccc(Br)cc2)C1 ZINC000038157558 205035280 /nfs/dbraw/zinc/03/52/80/205035280.db2.gz MPTJEIVSVWZMNX-LBPRGKRZSA-N 1 1 387.140 4.850 10 0 GJAEMO C[N@@H+]1Cc2sc(Br)cc2[C@H](c2ccc(Br)cc2)C1 ZINC000038157558 205035283 /nfs/dbraw/zinc/03/52/83/205035283.db2.gz MPTJEIVSVWZMNX-LBPRGKRZSA-N 1 1 387.140 4.850 10 0 GJAEMO CCOc1ccccc1C[N@H+](Cc1ccc2cc(NC(C)=O)ccc2n1)C1CC1 ZINC000055309656 205147496 /nfs/dbraw/zinc/14/74/96/205147496.db2.gz RCKKWBQULWAELQ-UHFFFAOYSA-N 1 1 389.499 4.757 10 0 GJAEMO CCOc1ccccc1C[N@@H+](Cc1ccc2cc(NC(C)=O)ccc2n1)C1CC1 ZINC000055309656 205147499 /nfs/dbraw/zinc/14/74/99/205147499.db2.gz RCKKWBQULWAELQ-UHFFFAOYSA-N 1 1 389.499 4.757 10 0 GJAEMO CSCCCN(Cc1cccnc1)C[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000055107789 205142993 /nfs/dbraw/zinc/14/29/93/205142993.db2.gz QQAGCPXOVBQFCY-OAQYLSRUSA-N 1 1 375.626 4.681 10 0 GJAEMO CC[N@H+]1CCC[C@H]1CNCc1cccc(OC)c1OCc1ccccc1Cl ZINC000022936045 570338784 /nfs/dbraw/zinc/33/87/84/570338784.db2.gz TVLURAIITOYRLH-IBGZPJMESA-N 1 1 388.939 4.502 10 0 GJAEMO CCN1CCC[C@H]1C[NH2+]Cc1cccc(OC)c1OCc1ccccc1Cl ZINC000022936045 570338785 /nfs/dbraw/zinc/33/87/85/570338785.db2.gz TVLURAIITOYRLH-IBGZPJMESA-N 1 1 388.939 4.502 10 0 GJAEMO O=C(c1ccc(Cl)cc1)[C@H]1CCC[N@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000012757683 210002885 /nfs/dbraw/zinc/00/28/85/210002885.db2.gz DQWOYLXISLTHQD-IBGZPJMESA-N 1 1 379.891 4.621 10 0 GJAEMO O=C(c1ccc(Cl)cc1)[C@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000012757683 210002887 /nfs/dbraw/zinc/00/28/87/210002887.db2.gz DQWOYLXISLTHQD-IBGZPJMESA-N 1 1 379.891 4.621 10 0 GJAEMO CC1(C)C[C@@]2(CCC[N@@H+](CCC(O)(c3ccccc3)c3ccccc3)C2)CCO1 ZINC000005295587 204124627 /nfs/dbraw/zinc/12/46/27/204124627.db2.gz VDJUFCKVEFSUKN-RUZDIDTESA-N 1 1 393.571 4.984 10 0 GJAEMO Cc1ccc(C[N@H+](Cc2ccccc2)C[C@@H](O)COCc2ccccc2)cc1 ZINC000036101735 204305919 /nfs/dbraw/zinc/30/59/19/204305919.db2.gz SFRZFLOHTGLUHH-RUZDIDTESA-N 1 1 375.512 4.575 10 0 GJAEMO CC[N@H+]1CCC[C@@H]1CNCc1cccc(OC)c1OCc1ccc(Cl)cc1 ZINC000022936039 570338547 /nfs/dbraw/zinc/33/85/47/570338547.db2.gz ZBBCPFAHJUIGKF-HXUWFJFHSA-N 1 1 388.939 4.502 10 0 GJAEMO CCN1CCC[C@@H]1C[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)cc1 ZINC000022936039 570338551 /nfs/dbraw/zinc/33/85/51/570338551.db2.gz ZBBCPFAHJUIGKF-HXUWFJFHSA-N 1 1 388.939 4.502 10 0 GJAEMO CC[N@H+]1CCC[C@H]1CNCc1cc(Cl)ccc1OCc1ccccc1F ZINC000022936334 570338829 /nfs/dbraw/zinc/33/88/29/570338829.db2.gz JFTPLSZWQKVBOZ-IBGZPJMESA-N 1 1 376.903 4.632 10 0 GJAEMO CCN1CCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000022936334 570338831 /nfs/dbraw/zinc/33/88/31/570338831.db2.gz JFTPLSZWQKVBOZ-IBGZPJMESA-N 1 1 376.903 4.632 10 0 GJAEMO CC(C)n1ccc(C[N@H+]2CC[C@H](c3ccnc(-c4ccc5c(c4)OCO5)c3)C2)c1 ZINC000065528714 570772341 /nfs/dbraw/zinc/77/23/41/570772341.db2.gz ZOIVZTLHBOGWMV-NRFANRHFSA-N 1 1 389.499 4.849 10 0 GJAEMO COC(=O)C[NH+]1CCC(n2cc(-c3ccc(F)cc3)c3cc(C)ccc32)CC1 ZINC000059051486 205178484 /nfs/dbraw/zinc/17/84/84/205178484.db2.gz OKNIETPCDGTPJB-UHFFFAOYSA-N 1 1 380.463 4.566 10 0 GJAEMO Cc1ccc(C[N@H+](Cc2ccncc2)Cc2ccc(F)cc2)n1-c1cccnc1 ZINC000055042163 570680219 /nfs/dbraw/zinc/68/02/19/570680219.db2.gz AGGLXOHZVBGGGF-UHFFFAOYSA-N 1 1 386.474 4.917 10 0 GJAEMO Cc1ccc(C[N@@H+](Cc2ccncc2)Cc2ccc(F)cc2)n1-c1cccnc1 ZINC000055042163 570680222 /nfs/dbraw/zinc/68/02/22/570680222.db2.gz AGGLXOHZVBGGGF-UHFFFAOYSA-N 1 1 386.474 4.917 10 0 GJAEMO CCc1ccc(C[N@H+](C)Cc2nc(-c3ccc(OC)cc3OC)oc2C)cc1 ZINC000012752542 210000562 /nfs/dbraw/zinc/00/05/62/210000562.db2.gz MRNRYKRUDYSPRW-UHFFFAOYSA-N 1 1 380.488 4.862 10 0 GJAEMO CCc1ccc(C[N@@H+](C)Cc2nc(-c3ccc(OC)cc3OC)oc2C)cc1 ZINC000012752542 210000568 /nfs/dbraw/zinc/00/05/68/210000568.db2.gz MRNRYKRUDYSPRW-UHFFFAOYSA-N 1 1 380.488 4.862 10 0 GJAEMO COc1ccc(CC[N@@H+](C)C[C@@H](c2ccc(OC)cc2)C2(O)CCCCC2)cc1 ZINC000077287250 205357246 /nfs/dbraw/zinc/35/72/46/205357246.db2.gz CJLLEDVZZJHJST-DEOSSOPVSA-N 1 1 397.559 4.657 10 0 in-vitro GJAEMO CCOc1cc(CNC[C@H]2CCC[N@@H+]2CC)ccc1OCc1ccc(C)cc1 ZINC000022936772 570338627 /nfs/dbraw/zinc/33/86/27/570338627.db2.gz BQHMIVWASWZVRM-JOCHJYFZSA-N 1 1 382.548 4.547 10 0 GJAEMO CCOc1cc(CNC[C@H]2CCC[N@H+]2CC)ccc1OCc1ccc(C)cc1 ZINC000022936772 570338630 /nfs/dbraw/zinc/33/86/30/570338630.db2.gz BQHMIVWASWZVRM-JOCHJYFZSA-N 1 1 382.548 4.547 10 0 GJAEMO COc1ccc(OC)c(-c2nc(C[N@@H+]3CCCC[C@@H]3c3cccnc3)c(C)o2)c1 ZINC000011821332 204356556 /nfs/dbraw/zinc/35/65/56/204356556.db2.gz HCJBELHDPXVWFH-OAQYLSRUSA-N 1 1 393.487 4.789 10 0 GJAEMO COc1ccc(OC)c(-c2nc(C[N@H+]3CCCC[C@@H]3c3cccnc3)c(C)o2)c1 ZINC000011821332 204356560 /nfs/dbraw/zinc/35/65/60/204356560.db2.gz HCJBELHDPXVWFH-OAQYLSRUSA-N 1 1 393.487 4.789 10 0 GJAEMO CCc1[nH]c(CN2CCOc3ccc(C4=Cc5ccccc5C4)cc3C2)c(C)[nH+]1 ZINC000019228000 204631744 /nfs/dbraw/zinc/63/17/44/204631744.db2.gz OMSVBOIKSKLDBP-UHFFFAOYSA-N 1 1 385.511 4.772 10 0 GJAEMO Cc1oc(-c2ccccc2Cl)nc1C[N@@H+](C)Cc1ccc2nccnc2c1 ZINC000055576062 205148624 /nfs/dbraw/zinc/14/86/24/205148624.db2.gz CVDLRSPZOFWTIF-UHFFFAOYSA-N 1 1 378.863 4.879 10 0 GJAEMO Cc1oc(-c2ccccc2Cl)nc1C[N@H+](C)Cc1ccc2nccnc2c1 ZINC000055576062 205148628 /nfs/dbraw/zinc/14/86/28/205148628.db2.gz CVDLRSPZOFWTIF-UHFFFAOYSA-N 1 1 378.863 4.879 10 0 GJAEMO CSc1ccc([C@@H]2[NH2+]Cc3c(C)nn(-c4ccccc4)c3-n3cccc32)cc1 ZINC000096077914 211297595 /nfs/dbraw/zinc/29/75/95/211297595.db2.gz CLODNDGDKFCUHB-QFIPXVFZSA-N 1 1 386.524 4.886 10 0 GJAEMO Cc1cccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]Cc4ncc[nH]4)C=C3C)[nH]c21 ZINC000077262185 560046735 /nfs/dbraw/zinc/04/67/35/560046735.db2.gz MFJAWMVPCDRLDO-UFYCRDLUSA-N 1 1 391.563 4.781 10 0 biogenic GJAEMO CSc1ccc2c(c1)N(CC[C@@H]1CCCC[N@H+]1C)c1ccccc1[S@]2=O ZINC000005318461 570433995 /nfs/dbraw/zinc/43/39/95/570433995.db2.gz XLDFFVBQCMLXIE-QMTYFTJSSA-N 1 1 386.586 4.901 10 0 in-vitro GJAEMO Cc1ccsc1C[N@@H+](Cc1ccccn1)Cc1cc2ccccc2n(C)c1=O ZINC000055211871 570687269 /nfs/dbraw/zinc/68/72/69/570687269.db2.gz UZDGINDHBVTAIJ-UHFFFAOYSA-N 1 1 389.524 4.506 10 0 GJAEMO COc1ccc([C@@H]2c3cccn3CCC[N@H+]2Cc2cccc(OC)c2OC)cc1 ZINC000036347574 205012986 /nfs/dbraw/zinc/01/29/86/205012986.db2.gz RZOMTTBTKLJSFG-HSZRJFAPSA-N 1 1 392.499 4.509 10 0 GJAEMO COc1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cccc(OC)c2OC)cc1 ZINC000036347574 205012989 /nfs/dbraw/zinc/01/29/89/205012989.db2.gz RZOMTTBTKLJSFG-HSZRJFAPSA-N 1 1 392.499 4.509 10 0 GJAEMO CSc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4nc3C)C2)cc1 ZINC000014953752 570321346 /nfs/dbraw/zinc/32/13/46/570321346.db2.gz OOWPBYBPXSDUJH-GOSISDBHSA-N 1 1 391.540 4.755 10 0 GJAEMO CC[N@@H+]1CCC[C@H]1CNCc1ccc(-c2ccc(Br)cc2C)o1 ZINC000035805200 570558385 /nfs/dbraw/zinc/55/83/85/570558385.db2.gz IVZMSNINTOSBDG-INIZCTEOSA-N 1 1 377.326 4.591 10 0 GJAEMO CC[N@H+]1CCC[C@H]1CNCc1ccc(-c2ccc(Br)cc2C)o1 ZINC000035805200 570558387 /nfs/dbraw/zinc/55/83/87/570558387.db2.gz IVZMSNINTOSBDG-INIZCTEOSA-N 1 1 377.326 4.591 10 0 GJAEMO Clc1ccc([C@@H]([C@@H](c2ccccc2)c2ccncc2)[NH+]2CCOCC2)cc1 ZINC000015784051 209236227 /nfs/dbraw/zinc/23/62/27/209236227.db2.gz FXFVKGWWGFQVOI-GOTSBHOMSA-N 1 1 378.903 4.940 10 0 GJAEMO CC[N@@H+](CCCCCCCF)CCCCc1ccc(NS(C)(=O)=O)cc1 ZINC000040465652 205065827 /nfs/dbraw/zinc/06/58/27/205065827.db2.gz VHZZMAQDUUCEGX-UHFFFAOYSA-N 1 1 386.577 4.623 10 0 GJAEMO CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)[C@@H]1C[N@@H+](C)CC[C@@H]1c1ccc(F)cc1 ZINC000083260331 211163909 /nfs/dbraw/zinc/16/39/09/211163909.db2.gz RZVKAWNUVBFUSF-IQQJEHGZSA-N 1 1 375.528 4.865 10 0 GJAEMO CC[N@@H+]1CCC[C@H]1CNCc1cc(Cl)c(OCc2ccccc2)c(OC)c1 ZINC000022936280 570338730 /nfs/dbraw/zinc/33/87/30/570338730.db2.gz QBXWPMLSASDLAR-IBGZPJMESA-N 1 1 388.939 4.502 10 0 GJAEMO CC[N@H+]1CCC[C@H]1CNCc1cc(Cl)c(OCc2ccccc2)c(OC)c1 ZINC000022936280 570338732 /nfs/dbraw/zinc/33/87/32/570338732.db2.gz QBXWPMLSASDLAR-IBGZPJMESA-N 1 1 388.939 4.502 10 0 GJAEMO CC[N@H+]1CCC[C@@H]1CNCc1cccc(OC)c1OCc1ccccc1Cl ZINC000022936043 570338763 /nfs/dbraw/zinc/33/87/63/570338763.db2.gz TVLURAIITOYRLH-LJQANCHMSA-N 1 1 388.939 4.502 10 0 GJAEMO CCN1CCC[C@@H]1C[NH2+]Cc1cccc(OC)c1OCc1ccccc1Cl ZINC000022936043 570338765 /nfs/dbraw/zinc/33/87/65/570338765.db2.gz TVLURAIITOYRLH-LJQANCHMSA-N 1 1 388.939 4.502 10 0 GJAEMO COc1cc(OC)cc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cccc(C)c2)c1 ZINC000036347437 570628825 /nfs/dbraw/zinc/62/88/25/570628825.db2.gz YKEHJYIOMGCBNT-XMMPIXPASA-N 1 1 376.500 4.809 10 0 GJAEMO Cc1oc(-c2ccsc2)nc1C[N@@H+](CCO)CC12CC3CC(CC(C3)C1)C2 ZINC000012438328 570662984 /nfs/dbraw/zinc/66/29/84/570662984.db2.gz BYHXRPILVKLNQV-UHFFFAOYSA-N 1 1 386.561 4.722 10 0 GJAEMO CC[N@@H+]1CCC[C@@H]1CNCc1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000022936005 570338789 /nfs/dbraw/zinc/33/87/89/570338789.db2.gz KBIDPTKKUIIHFH-LJQANCHMSA-N 1 1 388.939 4.502 10 0 GJAEMO CC[N@H+]1CCC[C@@H]1CNCc1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000022936005 570338791 /nfs/dbraw/zinc/33/87/91/570338791.db2.gz KBIDPTKKUIIHFH-LJQANCHMSA-N 1 1 388.939 4.502 10 0 GJAEMO CCOc1cccc(C[NH2+]Cc2ccccc2OC)c1OCc1ccccc1 ZINC000013720676 570780073 /nfs/dbraw/zinc/78/00/73/570780073.db2.gz ZKLNPHVDHLZUAB-UHFFFAOYSA-N 1 1 377.484 4.963 10 0 GJAEMO CC[N@@H+]1CCC[C@H]1CNCc1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000022935882 207266295 /nfs/dbraw/zinc/26/62/95/207266295.db2.gz IRFBYZSSYTWIGH-FQEVSTJZSA-N 1 1 388.939 4.502 10 0 GJAEMO CC[N@H+]1CCC[C@H]1CNCc1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000022935882 207266298 /nfs/dbraw/zinc/26/62/98/207266298.db2.gz IRFBYZSSYTWIGH-FQEVSTJZSA-N 1 1 388.939 4.502 10 0 GJAEMO CC[N@H+]1CCC[C@H]1CNCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000022936329 570338858 /nfs/dbraw/zinc/33/88/58/570338858.db2.gz JFJKFYMDNRSQCS-FQEVSTJZSA-N 1 1 376.903 4.632 10 0 GJAEMO CCN1CCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000022936329 570338860 /nfs/dbraw/zinc/33/88/60/570338860.db2.gz JFJKFYMDNRSQCS-FQEVSTJZSA-N 1 1 376.903 4.632 10 0 GJAEMO CC1(C)C[C@]2(CCC[N@@H+](CCC(O)(c3ccccc3)c3ccccc3)C2)CCO1 ZINC000005295705 570433342 /nfs/dbraw/zinc/43/33/42/570433342.db2.gz VDJUFCKVEFSUKN-VWLOTQADSA-N 1 1 393.571 4.984 10 0 GJAEMO CC[N@@H+]1CCC[C@H]1CNCc1ccc(-c2ccc(Br)c(C)c2)o1 ZINC000035805193 570558360 /nfs/dbraw/zinc/55/83/60/570558360.db2.gz LRKRKEDRNSNJOA-INIZCTEOSA-N 1 1 377.326 4.591 10 0 GJAEMO CC[N@H+]1CCC[C@H]1CNCc1ccc(-c2ccc(Br)c(C)c2)o1 ZINC000035805193 570558362 /nfs/dbraw/zinc/55/83/62/570558362.db2.gz LRKRKEDRNSNJOA-INIZCTEOSA-N 1 1 377.326 4.591 10 0 GJAEMO CCCOc1c(C[NH2+]Cc2ccccc2OC)cc(Br)cc1OC ZINC000020934427 207221730 /nfs/dbraw/zinc/22/17/30/207221730.db2.gz DFJBHJDAAGSWNW-UHFFFAOYSA-N 1 1 394.309 4.545 10 0 GJAEMO CC[N@H+]1CCC[C@H]1CNCc1cccc(OC)c1OCc1ccc(Cl)cc1 ZINC000022936041 207265865 /nfs/dbraw/zinc/26/58/65/207265865.db2.gz ZBBCPFAHJUIGKF-FQEVSTJZSA-N 1 1 388.939 4.502 10 0 GJAEMO CCN1CCC[C@H]1C[NH2+]Cc1cccc(OC)c1OCc1ccc(Cl)cc1 ZINC000022936041 207265868 /nfs/dbraw/zinc/26/58/68/207265868.db2.gz ZBBCPFAHJUIGKF-FQEVSTJZSA-N 1 1 388.939 4.502 10 0 GJAEMO Cc1ccccc1-c1ncc(C[N@H+]2CCC[C@@H](Nc3ccc(F)cc3)C2)cn1 ZINC000012593711 221212922 /nfs/dbraw/zinc/21/29/22/221212922.db2.gz QVOPCOAJHKBAGE-OAQYLSRUSA-N 1 1 376.479 4.668 10 0 GJAEMO Cc1ncc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)s1 ZINC000014975989 221323118 /nfs/dbraw/zinc/32/31/18/221323118.db2.gz HOOLQTPUDOSOMB-QGZVFWFLSA-N 1 1 381.501 4.562 10 0 GJAEMO C[N@@H+](Cc1cccc2cnccc21)C[C@H]1CCCN(CCc2ccc(F)cc2)C1 ZINC000055244216 222017819 /nfs/dbraw/zinc/01/78/19/222017819.db2.gz IVZTWSPNJYAMDK-OAQYLSRUSA-N 1 1 391.534 4.760 10 0 GJAEMO C[N@H+](Cc1cccc2cnccc21)C[C@H]1CCCN(CCc2ccc(F)cc2)C1 ZINC000055244216 222017823 /nfs/dbraw/zinc/01/78/23/222017823.db2.gz IVZTWSPNJYAMDK-OAQYLSRUSA-N 1 1 391.534 4.760 10 0 GJAEMO CCN(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2c(OC)ccc3ccccc32)C1 ZINC000020601085 570269974 /nfs/dbraw/zinc/26/99/74/570269974.db2.gz FXHXNJTXTZZEPO-QFIPXVFZSA-N 1 1 389.543 4.730 10 0 GJAEMO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(Cc2c(OC)ccc3ccccc32)C1 ZINC000020601085 570269975 /nfs/dbraw/zinc/26/99/75/570269975.db2.gz FXHXNJTXTZZEPO-QFIPXVFZSA-N 1 1 389.543 4.730 10 0 GJAEMO CC[N@@H+](Cc1ccncc1)[C@H]1CCCN(Cc2c(OC)ccc3ccccc32)C1 ZINC000020601085 570269977 /nfs/dbraw/zinc/26/99/77/570269977.db2.gz FXHXNJTXTZZEPO-QFIPXVFZSA-N 1 1 389.543 4.730 10 0 GJAEMO CSc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4nc3C)C2)cc1 ZINC000014953756 207032794 /nfs/dbraw/zinc/03/27/94/207032794.db2.gz OOWPBYBPXSDUJH-SFHVURJKSA-N 1 1 391.540 4.755 10 0 GJAEMO COc1cccc(C[NH2+]Cc2ccco2)c1OCc1ccc(F)cc1Cl ZINC000020876286 207217810 /nfs/dbraw/zinc/21/78/10/207217810.db2.gz BJWWIWHOKDMPLG-UHFFFAOYSA-N 1 1 375.827 4.950 10 0 GJAEMO O=C(CC[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1)NCc1ccccc1F ZINC000013596459 221277139 /nfs/dbraw/zinc/27/71/39/221277139.db2.gz GEIYGRSCSOPTQI-KRWDZBQOSA-N 1 1 388.914 4.788 10 0 GJAEMO CC[N@@H+]1CCC[C@H]1CNCc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000022936002 570338891 /nfs/dbraw/zinc/33/88/91/570338891.db2.gz WEYJZEIUIYNDAU-FQEVSTJZSA-N 1 1 388.939 4.502 10 0 GJAEMO CC[N@H+]1CCC[C@H]1CNCc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000022936002 570338894 /nfs/dbraw/zinc/33/88/94/570338894.db2.gz WEYJZEIUIYNDAU-FQEVSTJZSA-N 1 1 388.939 4.502 10 0 GJAEMO CN1N=C2/C(=C/c3ccc(Cl)cc3)C[N@H+](C)C[C@@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000085388988 208101181 /nfs/dbraw/zinc/10/11/81/208101181.db2.gz MHGDGQYNRJRIMN-ULAQWOPESA-N 1 1 386.326 4.981 10 0 GJAEMO Fc1ccccc1-c1nccnc1[C@@H]1CCC[N@@H+](CCOc2ccccc2)C1 ZINC000072358886 222239040 /nfs/dbraw/zinc/23/90/40/222239040.db2.gz NHEVWMZFJZYXJH-GOSISDBHSA-N 1 1 377.463 4.541 10 0 GJAEMO CC[N@H+]1CCC[C@@H]1CNCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000022936327 570338735 /nfs/dbraw/zinc/33/87/35/570338735.db2.gz JFJKFYMDNRSQCS-HXUWFJFHSA-N 1 1 376.903 4.632 10 0 GJAEMO CCN1CCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000022936327 570338737 /nfs/dbraw/zinc/33/87/37/570338737.db2.gz JFJKFYMDNRSQCS-HXUWFJFHSA-N 1 1 376.903 4.632 10 0 GJAEMO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)[C@@H]1C[N@@H+](C)CC[C@@H]1c1ccc(F)cc1 ZINC000022009000 570961640 /nfs/dbraw/zinc/96/16/40/570961640.db2.gz RZVKAWNUVBFUSF-CLMCDVRKSA-N 1 1 375.528 4.865 10 0 GJAEMO COc1c(Br)cc(Br)cc1C[NH2+][C@@H](C)c1ccco1 ZINC000035012574 212227429 /nfs/dbraw/zinc/22/74/29/212227429.db2.gz JADVVDBPFGZTDD-VIFPVBQESA-N 1 1 389.087 4.664 10 0 GJAEMO CC[N@@H+](Cc1ccncc1)[C@H]1CCCN(C(=O)Nc2cccc(Cl)c2C)C1 ZINC000011821495 221129942 /nfs/dbraw/zinc/12/99/42/221129942.db2.gz NGHNQPQGAFGYGZ-SFHVURJKSA-N 1 1 386.927 4.562 10 0 GJAEMO Nc1nc(N)c2cc(Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2[nH+]1 ZINC000143994341 222529106 /nfs/dbraw/zinc/52/91/06/222529106.db2.gz MICBUQYPQZXNKW-UHFFFAOYSA-N 1 1 388.271 4.624 10 0 GJAEMO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@H+](Cc2ccc(C)o2)C3)c1 ZINC000014956011 207033646 /nfs/dbraw/zinc/03/36/46/207033646.db2.gz UXSINGWUAGSLJC-UHFFFAOYSA-N 1 1 379.456 4.667 10 0 GJAEMO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@@H+](Cc2ccc(C)o2)C3)c1 ZINC000014956011 207033648 /nfs/dbraw/zinc/03/36/48/207033648.db2.gz UXSINGWUAGSLJC-UHFFFAOYSA-N 1 1 379.456 4.667 10 0 GJAEMO COc1ccc(-c2nc(C[N@@H+](CC3CC3)C[C@@H]3CCCO3)c(C)o2)c(C)c1C ZINC000012583293 221209465 /nfs/dbraw/zinc/20/94/65/221209465.db2.gz BPNGCRCACWMNOQ-IBGZPJMESA-N 1 1 384.520 4.666 10 0 GJAEMO CSc1ccc([C@H]2[NH2+]Cc3c(C)nn(-c4ccccc4)c3-n3cccc32)cc1 ZINC000096077915 222376600 /nfs/dbraw/zinc/37/66/00/222376600.db2.gz CLODNDGDKFCUHB-JOCHJYFZSA-N 1 1 386.524 4.886 10 0 GJAEMO CC[N@@H+]1CCC[C@H]1CNCc1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000022936007 570338865 /nfs/dbraw/zinc/33/88/65/570338865.db2.gz KBIDPTKKUIIHFH-IBGZPJMESA-N 1 1 388.939 4.502 10 0 GJAEMO CC[N@H+]1CCC[C@H]1CNCc1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000022936007 570338868 /nfs/dbraw/zinc/33/88/68/570338868.db2.gz KBIDPTKKUIIHFH-IBGZPJMESA-N 1 1 388.939 4.502 10 0 GJAEMO COc1ccccc1C[NH2+]Cc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000013720336 570780110 /nfs/dbraw/zinc/78/01/10/570780110.db2.gz YGPAPMBGYZDITH-UHFFFAOYSA-N 1 1 381.447 4.712 10 0 GJAEMO CC[N@@H+]1CCC[C@@H]1CNCc1cc(Cl)c(OCc2ccccc2)c(OC)c1 ZINC000022936278 207264556 /nfs/dbraw/zinc/26/45/56/207264556.db2.gz QBXWPMLSASDLAR-LJQANCHMSA-N 1 1 388.939 4.502 10 0 GJAEMO CC[N@H+]1CCC[C@@H]1CNCc1cc(Cl)c(OCc2ccccc2)c(OC)c1 ZINC000022936278 207264561 /nfs/dbraw/zinc/26/45/61/207264561.db2.gz QBXWPMLSASDLAR-LJQANCHMSA-N 1 1 388.939 4.502 10 0 GJAEMO C[NH2+]CCCNCc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000010315401 221100226 /nfs/dbraw/zinc/10/02/26/221100226.db2.gz RGXHZBXKBGLPED-UHFFFAOYSA-N 1 1 376.331 4.696 10 0 GJAEMO Cc1ccc(-n2cc(C[N@@H+](C)CC3CCOCC3)c(-c3ccc(F)cc3)n2)cc1 ZINC000012572115 221208595 /nfs/dbraw/zinc/20/85/95/221208595.db2.gz ZPUKUYRTVSMBMU-UHFFFAOYSA-N 1 1 393.506 4.845 10 0 GJAEMO CC[N@@H+]1CCC[C@@H]1CNCc1ccc(-c2ccc(Br)cc2C)o1 ZINC000035805197 570558147 /nfs/dbraw/zinc/55/81/47/570558147.db2.gz IVZMSNINTOSBDG-MRXNPFEDSA-N 1 1 377.326 4.591 10 0 GJAEMO CC[N@H+]1CCC[C@@H]1CNCc1ccc(-c2ccc(Br)cc2C)o1 ZINC000035805197 570558151 /nfs/dbraw/zinc/55/81/51/570558151.db2.gz IVZMSNINTOSBDG-MRXNPFEDSA-N 1 1 377.326 4.591 10 0 GJAEMO COc1cc(OC)cc([C@H]2c3cccn3CCC[N@H+]2Cc2cccc(F)c2)c1 ZINC000036347433 570628662 /nfs/dbraw/zinc/62/86/62/570628662.db2.gz XTTNCYSBYLPODG-QHCPKHFHSA-N 1 1 380.463 4.640 10 0 GJAEMO COc1cc(OC)cc([C@H]2c3cccn3CCC[N@@H+]2Cc2cccc(F)c2)c1 ZINC000036347433 570628664 /nfs/dbraw/zinc/62/86/64/570628664.db2.gz XTTNCYSBYLPODG-QHCPKHFHSA-N 1 1 380.463 4.640 10 0 GJAEMO COc1ccccc1-c1cc2c(c(OC)c1)OCC[N@@H+](C[C@@H]1CC=CCC1)C2 ZINC000020293883 207186270 /nfs/dbraw/zinc/18/62/70/207186270.db2.gz VQVUEBNQTMLSJK-GOSISDBHSA-N 1 1 379.500 4.922 10 0 GJAEMO CC[N@@H+]1CCC[C@@H]1CNCc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000022936000 207264785 /nfs/dbraw/zinc/26/47/85/207264785.db2.gz WEYJZEIUIYNDAU-HXUWFJFHSA-N 1 1 388.939 4.502 10 0 GJAEMO CC[N@H+]1CCC[C@@H]1CNCc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000022936000 207264789 /nfs/dbraw/zinc/26/47/89/207264789.db2.gz WEYJZEIUIYNDAU-HXUWFJFHSA-N 1 1 388.939 4.502 10 0 GJAEMO COc1ccc(Cl)cc1C(=O)[C@H]1CCC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000011821190 221128990 /nfs/dbraw/zinc/12/89/90/221128990.db2.gz LUCZPERSXHKXDZ-KRWDZBQOSA-N 1 1 394.902 4.992 10 0 GJAEMO CN(Cc1ccc2ccccc2n1)C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000011938368 221138732 /nfs/dbraw/zinc/13/87/32/221138732.db2.gz RGYQWQPYKSRBDA-OAQYLSRUSA-N 1 1 391.534 4.760 10 0 GJAEMO CC(=O)c1ccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CCC2CCCCC2)C3)cc1 ZINC000012093374 221150316 /nfs/dbraw/zinc/15/03/16/221150316.db2.gz WSIHLWMZRITVSC-RUZDIDTESA-N 1 1 396.575 4.788 10 0 GJAEMO CC(C)n1ccc(C[N@H+]2CC[C@@H](c3ccnc(-c4ccc5c(c4)OCO5)c3)C2)c1 ZINC000065528717 570772398 /nfs/dbraw/zinc/77/23/98/570772398.db2.gz ZOIVZTLHBOGWMV-OAQYLSRUSA-N 1 1 389.499 4.849 10 0 GJAEMO C[C@H]1C[N@@H+](CCc2ccccc2)CC[C@H]1N(C(=O)C(F)(F)F)c1ccccc1 ZINC000255967378 206284851 /nfs/dbraw/zinc/28/48/51/206284851.db2.gz COBJQZALHHFWCU-FXAWDEMLSA-N 1 1 390.449 4.535 10 0 GJAEMO CC[N@@H+](Cc1ccncc1)[C@@H]1CCCN(C(=O)Nc2cccc(Cl)c2C)C1 ZINC000011821494 221129743 /nfs/dbraw/zinc/12/97/43/221129743.db2.gz NGHNQPQGAFGYGZ-GOSISDBHSA-N 1 1 386.927 4.562 10 0 GJAEMO O=C(CC[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2)C1)NCc1ccccc1F ZINC000013596461 221276558 /nfs/dbraw/zinc/27/65/58/221276558.db2.gz GEIYGRSCSOPTQI-QGZVFWFLSA-N 1 1 388.914 4.788 10 0 GJAEMO Cc1ccccc1CN1C[C@@H]2C[C@@H](c3ccc(Cl)cc3)[N@H+]3CCC[C@@]23C1=O ZINC000015063841 221327809 /nfs/dbraw/zinc/32/78/09/221327809.db2.gz RFKVAWXGJIUVDB-RRPUWOKSSA-N 1 1 380.919 4.586 10 0 GJAEMO COc1cc(OC)cc([C@@H]2c3cccn3CCC[N@H+]2Cc2cccc(F)c2)c1 ZINC000036347432 570628560 /nfs/dbraw/zinc/62/85/60/570628560.db2.gz XTTNCYSBYLPODG-HSZRJFAPSA-N 1 1 380.463 4.640 10 0 GJAEMO COc1cc(OC)cc([C@@H]2c3cccn3CCC[N@@H+]2Cc2cccc(F)c2)c1 ZINC000036347432 570628564 /nfs/dbraw/zinc/62/85/64/570628564.db2.gz XTTNCYSBYLPODG-HSZRJFAPSA-N 1 1 380.463 4.640 10 0 GJAEMO COc1c(Br)cc(Br)cc1C[NH2+][C@H](C)c1ccco1 ZINC000035012576 206365327 /nfs/dbraw/zinc/36/53/27/206365327.db2.gz JADVVDBPFGZTDD-SECBINFHSA-N 1 1 389.087 4.664 10 0 GJAEMO Cc1nc2ccccc2nc1C[N@H+]1CCC[C@](CO)(CCCc2ccccc2)C1 ZINC000011842279 221132321 /nfs/dbraw/zinc/13/23/21/221132321.db2.gz XCRFECSLSWZYCQ-RUZDIDTESA-N 1 1 389.543 4.536 10 0 GJAEMO Cc1cccc(-n2ncc3c2CCC[C@H]3[NH2+]Cc2nc3ccccc3nc2C)c1C ZINC000055243705 222018096 /nfs/dbraw/zinc/01/80/96/222018096.db2.gz XSDPRAUCOWECDB-HXUWFJFHSA-N 1 1 397.526 4.908 10 0 GJAEMO CN1N=C2/C(=C/c3ccc(Cl)cc3)C[N@H+](C)C[C@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000085388992 222323670 /nfs/dbraw/zinc/32/36/70/222323670.db2.gz MHGDGQYNRJRIMN-RMKCNFRFSA-N 1 1 386.326 4.981 10 0 GJAEMO CC[N@@H+]1CCC[C@H]1CNCc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000035805188 570558182 /nfs/dbraw/zinc/55/81/82/570558182.db2.gz FQHPAPCYRHJZEA-AWEZNQCLSA-N 1 1 397.744 4.936 10 0 GJAEMO CC[N@H+]1CCC[C@H]1CNCc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000035805188 570558186 /nfs/dbraw/zinc/55/81/86/570558186.db2.gz FQHPAPCYRHJZEA-AWEZNQCLSA-N 1 1 397.744 4.936 10 0 GJAEMO CC[N@@H+]1CCC[C@@H]1CNCc1ccc(-c2ccc(Br)c(C)c2)o1 ZINC000035805190 570558466 /nfs/dbraw/zinc/55/84/66/570558466.db2.gz LRKRKEDRNSNJOA-MRXNPFEDSA-N 1 1 377.326 4.591 10 0 GJAEMO CC[N@H+]1CCC[C@@H]1CNCc1ccc(-c2ccc(Br)c(C)c2)o1 ZINC000035805190 570558469 /nfs/dbraw/zinc/55/84/69/570558469.db2.gz LRKRKEDRNSNJOA-MRXNPFEDSA-N 1 1 377.326 4.591 10 0 GJAEMO CCOc1cccc(CNCC[NH+](C)C)c1OCc1ccc(Cl)cc1Cl ZINC000022937131 207265778 /nfs/dbraw/zinc/26/57/78/207265778.db2.gz IRKPPSODMGPQRS-UHFFFAOYSA-N 1 1 397.346 4.622 10 0 GJAEMO CC(C)(C)OC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000309680855 526494226 /nfs/dbraw/zinc/49/42/26/526494226.db2.gz YVSJDIDTUPXEER-PMACEKPBSA-N 1 1 386.923 4.833 10 0 GJAEMO CC[N@H+](CC(=O)Nc1c(C)ccc(Br)c1C)Cc1ccccc1 ZINC000504132605 527918680 /nfs/dbraw/zinc/91/86/80/527918680.db2.gz JERLMKUVIZUAJZ-UHFFFAOYSA-N 1 1 375.310 4.527 10 0 GJAEMO CC[N@@H+](CC(=O)Nc1c(C)ccc(Br)c1C)Cc1ccccc1 ZINC000504132605 527918686 /nfs/dbraw/zinc/91/86/86/527918686.db2.gz JERLMKUVIZUAJZ-UHFFFAOYSA-N 1 1 375.310 4.527 10 0 GJAEMO CC(=O)N(CC(C)C)C[C@H]1C[N@@H+](Cc2sccc2C)C[C@@H]1c1ccccc1 ZINC000105049982 570913967 /nfs/dbraw/zinc/91/39/67/570913967.db2.gz XVIDBDSZUUMNIP-FGZHOGPDSA-N 1 1 384.589 4.777 10 0 GJAEMO Cc1ncc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)s1 ZINC000014975992 207036845 /nfs/dbraw/zinc/03/68/45/207036845.db2.gz HOOLQTPUDOSOMB-KRWDZBQOSA-N 1 1 381.501 4.562 10 0 GJAEMO Nc1cc(F)ccc1N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000020135583 207179564 /nfs/dbraw/zinc/17/95/64/207179564.db2.gz GFDXPBRAZPCIPV-UHFFFAOYSA-N 1 1 397.444 4.598 10 0 GJAEMO CCN(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2c(OC)ccc3ccccc32)C1 ZINC000020601084 207205730 /nfs/dbraw/zinc/20/57/30/207205730.db2.gz FXHXNJTXTZZEPO-JOCHJYFZSA-N 1 1 389.543 4.730 10 0 GJAEMO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(Cc2c(OC)ccc3ccccc32)C1 ZINC000020601084 207205734 /nfs/dbraw/zinc/20/57/34/207205734.db2.gz FXHXNJTXTZZEPO-JOCHJYFZSA-N 1 1 389.543 4.730 10 0 GJAEMO CC[N@@H+](Cc1ccncc1)[C@@H]1CCCN(Cc2c(OC)ccc3ccccc32)C1 ZINC000020601084 207205737 /nfs/dbraw/zinc/20/57/37/207205737.db2.gz FXHXNJTXTZZEPO-JOCHJYFZSA-N 1 1 389.543 4.730 10 0 GJAEMO CC[N@@H+](Cc1ccncc1)[C@H]1CCCN(Cc2ccc3cc(Cl)ccc3n2)C1 ZINC000022914423 207264000 /nfs/dbraw/zinc/26/40/00/207264000.db2.gz OVFRKYVSRAAKIF-QFIPXVFZSA-N 1 1 394.950 4.770 10 0 GJAEMO CCN(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccc3cc(Cl)ccc3n2)C1 ZINC000022914423 207264002 /nfs/dbraw/zinc/26/40/02/207264002.db2.gz OVFRKYVSRAAKIF-QFIPXVFZSA-N 1 1 394.950 4.770 10 0 GJAEMO CCN(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccc3cc(Cl)ccc3n2)C1 ZINC000022914423 207264006 /nfs/dbraw/zinc/26/40/06/207264006.db2.gz OVFRKYVSRAAKIF-QFIPXVFZSA-N 1 1 394.950 4.770 10 0 GJAEMO COc1ccccc1C[NH2+]Cc1cccc(OC)c1OCc1ccc(C)cc1 ZINC000013720718 206993630 /nfs/dbraw/zinc/99/36/30/206993630.db2.gz OQNIGBNLYPNHID-UHFFFAOYSA-N 1 1 377.484 4.881 10 0 GJAEMO CC(=O)c1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CCC2CCCCC2)C3)cc1 ZINC000012093375 221150750 /nfs/dbraw/zinc/15/07/50/221150750.db2.gz WSIHLWMZRITVSC-VWLOTQADSA-N 1 1 396.575 4.788 10 0 GJAEMO COc1ccccc1C[NH2+]Cc1cccc(OC)c1OCc1ccccc1F ZINC000013720333 221284241 /nfs/dbraw/zinc/28/42/41/221284241.db2.gz KKBZKZXRIIVRII-UHFFFAOYSA-N 1 1 381.447 4.712 10 0 GJAEMO CC[N@H+]1CCC[C@H]1CNCc1cc(Cl)cc(OC)c1OCc1ccccc1 ZINC000022936911 570338570 /nfs/dbraw/zinc/33/85/70/570338570.db2.gz AAAHRWWYPKWRDY-FQEVSTJZSA-N 1 1 388.939 4.502 10 0 GJAEMO CCN1CCC[C@H]1C[NH2+]Cc1cc(Cl)cc(OC)c1OCc1ccccc1 ZINC000022936911 570338573 /nfs/dbraw/zinc/33/85/73/570338573.db2.gz AAAHRWWYPKWRDY-FQEVSTJZSA-N 1 1 388.939 4.502 10 0 GJAEMO CC(=O)N(CC(C)C)C[C@@H]1C[N@@H+](Cc2sccc2C)C[C@@H]1c1ccccc1 ZINC000105049979 570913803 /nfs/dbraw/zinc/91/38/03/570913803.db2.gz XVIDBDSZUUMNIP-FCHUYYIVSA-N 1 1 384.589 4.777 10 0 GJAEMO Clc1ccc([C@@H]([C@H](c2ccccc2)c2ccncc2)[NH+]2CCOCC2)cc1 ZINC000015784055 212149835 /nfs/dbraw/zinc/14/98/35/212149835.db2.gz FXFVKGWWGFQVOI-PKTZIBPZSA-N 1 1 378.903 4.940 10 0 GJAEMO CC[N@H+]1CCC[C@@H]1CNCc1cc(Cl)cc(OC)c1OCc1ccccc1 ZINC000022936908 207265062 /nfs/dbraw/zinc/26/50/62/207265062.db2.gz AAAHRWWYPKWRDY-HXUWFJFHSA-N 1 1 388.939 4.502 10 0 GJAEMO CCN1CCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(OC)c1OCc1ccccc1 ZINC000022936908 207265064 /nfs/dbraw/zinc/26/50/64/207265064.db2.gz AAAHRWWYPKWRDY-HXUWFJFHSA-N 1 1 388.939 4.502 10 0 GJAEMO CC[N@@H+](Cc1nc(-c2ccc(OC)c3ccccc23)oc1C)C[C@@H]1CCCO1 ZINC000012702524 221219575 /nfs/dbraw/zinc/21/95/75/221219575.db2.gz UCWBUNSBENLPRJ-KRWDZBQOSA-N 1 1 380.488 4.813 10 0 GJAEMO CC[N@H+](Cc1nc(-c2ccc(OC)c3ccccc23)oc1C)C[C@@H]1CCCO1 ZINC000012702524 221219578 /nfs/dbraw/zinc/21/95/78/221219578.db2.gz UCWBUNSBENLPRJ-KRWDZBQOSA-N 1 1 380.488 4.813 10 0 GJAEMO CC[N@H+]1CCC[C@@H]1CNCc1cc(Cl)ccc1OCc1ccccc1F ZINC000022936332 570338693 /nfs/dbraw/zinc/33/86/93/570338693.db2.gz JFTPLSZWQKVBOZ-LJQANCHMSA-N 1 1 376.903 4.632 10 0 GJAEMO CCN1CCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F ZINC000022936332 570338697 /nfs/dbraw/zinc/33/86/97/570338697.db2.gz JFTPLSZWQKVBOZ-LJQANCHMSA-N 1 1 376.903 4.632 10 0 GJAEMO O=C(CCC[NH+]1CCC(n2c3ccccc3[nH]c2=S)CC1)c1ccc(F)cc1 ZINC000003873392 570352528 /nfs/dbraw/zinc/35/25/28/570352528.db2.gz YDLQKLWVKKFPII-UHFFFAOYSA-N 1 1 397.519 4.764 10 0 in-man GJAEMO