smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)Nc1ccc(C[NH+]2CCC([C@@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@@H+]3C)CC2)cc1 ZINC000057774436 195360266 /nfs/dbraw/zinc/36/02/66/195360266.db2.gz HNDFKJNTUOKCBK-BWKNWUBXSA-N 2 1 452.574 3.955 40 0 JHABMP CN1CCN(C(=O)c2cccc(-c3c[nH]nc3[C@@H]3CCC[N@@H+](CCOCc4ccccc4)C3)c2)CC1 ZINC000257256666 570125256 /nfs/dbraw/zinc/12/52/56/570125256.db2.gz KMKGEBMDMMNXGG-AREMUKBSSA-N 2 1 487.648 3.861 40 0 JHABMP C[NH+]1CCN(C(=O)c2cccc(-c3c[nH]nc3[C@@H]3CCC[N@H+](CCOCc4ccccc4)C3)c2)CC1 ZINC000257256666 570125258 /nfs/dbraw/zinc/12/52/58/570125258.db2.gz KMKGEBMDMMNXGG-AREMUKBSSA-N 2 1 487.648 3.861 40 0 JHABMP Cc1noc(C)c1COc1ccc(CN2CC[C@@](O)(C[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000257307858 570140782 /nfs/dbraw/zinc/14/07/82/570140782.db2.gz TUKKHBVWSNYICT-MUUNZHRXSA-N 2 1 476.621 3.629 40 0 JHABMP COc1cc2c(cc1Br)n(C)c(C[NH+]1CCCCC1)c2C(=O)OCC[NH+](C)C ZINC000014944636 522995064 /nfs/dbraw/zinc/99/50/64/522995064.db2.gz KWPZHYFRYHOSEC-UHFFFAOYSA-N 2 1 452.393 3.654 40 0 JHABMP COc1ccc(CCCN2C(=O)CCc3c(C)nc([C@H]4CCC[N@@H+](C5CC[NH2+]CC5)C4)nc32)cc1 ZINC000257200033 570107677 /nfs/dbraw/zinc/10/76/77/570107677.db2.gz ABSVTGRIDTXLNC-QFIPXVFZSA-N 2 1 477.653 3.637 40 0 JHABMP COc1ccc(CCCN2C(=O)CCc3c(C)nc([C@H]4CCC[N@H+](C5CC[NH2+]CC5)C4)nc32)cc1 ZINC000257200033 570107678 /nfs/dbraw/zinc/10/76/78/570107678.db2.gz ABSVTGRIDTXLNC-QFIPXVFZSA-N 2 1 477.653 3.637 40 0 JHABMP Cc1ccc(NC(=O)c2cccc([C@@H]3CCCN3C(=O)C3CC[NH+](C4CC[NH+](C)CC4)CC3)n2)nc1 ZINC000257227581 570116286 /nfs/dbraw/zinc/11/62/86/570116286.db2.gz FPZGMHOWOJIQBN-VWLOTQADSA-N 2 1 490.652 3.507 40 0 JHABMP CN1CCN(C(=O)c2cccc(-c3c[nH]nc3[C@H]3CCC[N@@H+](CCOCc4ccccc4)C3)c2)CC1 ZINC000257256667 570125280 /nfs/dbraw/zinc/12/52/80/570125280.db2.gz KMKGEBMDMMNXGG-SANMLTNESA-N 2 1 487.648 3.861 40 0 JHABMP C[NH+]1CCN(C(=O)c2cccc(-c3c[nH]nc3[C@H]3CCC[N@H+](CCOCc4ccccc4)C3)c2)CC1 ZINC000257256667 570125281 /nfs/dbraw/zinc/12/52/81/570125281.db2.gz KMKGEBMDMMNXGG-SANMLTNESA-N 2 1 487.648 3.861 40 0 JHABMP COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3N2CC(=O)Nc2ccc3nc(C)[nH]c3c2)cc1 ZINC000257275544 570131346 /nfs/dbraw/zinc/13/13/46/570131346.db2.gz NPVGPVKXVGPDSK-FXSPECFOSA-N 2 1 461.566 3.693 40 0 JHABMP C[N@@H+](Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000257269249 570129411 /nfs/dbraw/zinc/12/94/11/570129411.db2.gz MPFCJPKURYKDCI-HHHXNRCGSA-N 2 1 453.602 3.523 40 0 JHABMP COc1ccc(-c2cc(C[C@H]3C[NH2+]CC[C@H]3CC(=O)N3CC[NH+](Cc4ccccc4)CC3)no2)cc1 ZINC000020504017 523108526 /nfs/dbraw/zinc/10/85/26/523108526.db2.gz KHWWHACQSMQRCE-DQEYMECFSA-N 2 1 488.632 3.853 40 0 biogenic,in-vitro JHABMP Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CCC[N@@H+](Cc3ccc[nH]3)C2)ccc1Cl ZINC000257203284 570108807 /nfs/dbraw/zinc/10/88/07/570108807.db2.gz APJBXUKBUMVXNN-RUZDIDTESA-N 2 1 459.034 3.802 40 0 JHABMP Cc1cc(OC[C@@]2(CC(=O)N3CC[NH+](C)CC3)CCC[N@H+](Cc3ccc[nH]3)C2)ccc1Cl ZINC000257203284 570108809 /nfs/dbraw/zinc/10/88/09/570108809.db2.gz APJBXUKBUMVXNN-RUZDIDTESA-N 2 1 459.034 3.802 40 0 JHABMP Cc1ccc(NC(=O)c2cccc([C@H]3CCCN3C(=O)C3CC[NH+](C4CC[NH+](C)CC4)CC3)n2)nc1 ZINC000257227580 570116278 /nfs/dbraw/zinc/11/62/78/570116278.db2.gz FPZGMHOWOJIQBN-RUZDIDTESA-N 2 1 490.652 3.507 40 0 JHABMP C[NH+]1CCN(C(=O)C[C@@]2(COc3ccc(Cl)cc3)CN(Cc3ccc4[nH]ccc4c3)CCO2)CC1 ZINC000257322552 570145300 /nfs/dbraw/zinc/14/53/00/570145300.db2.gz WGKLDMJEQPBVOB-MHZLTWQESA-N 2 1 497.039 3.635 40 0 JHABMP CC(=O)Nc1ccc(C[NH+]2CCC([C@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@@H+]3C)CC2)cc1 ZINC000057774433 195360163 /nfs/dbraw/zinc/36/01/63/195360163.db2.gz HNDFKJNTUOKCBK-SQJMNOBHSA-N 2 1 452.574 3.955 40 0 JHABMP CC(=O)Nc1ccc(C[NH+]2CCC([C@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@@H+]3C)CC2)cc1 ZINC000057774438 195360329 /nfs/dbraw/zinc/36/03/29/195360329.db2.gz HNDFKJNTUOKCBK-PXDATVDWSA-N 2 1 452.574 3.955 40 0 JHABMP C[N@H+](Cc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)NCc2ccc3c(c2)OCO3)no1)Cc1ccccc1 ZINC000012482101 523170511 /nfs/dbraw/zinc/17/05/11/523170511.db2.gz UWHLPRFHSAYEJC-GOTSBHOMSA-N 2 1 490.604 3.510 40 0 biogenic,in-vitro JHABMP C[N@@H+](Cc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)NCc2ccc3c(c2)OCO3)no1)Cc1ccccc1 ZINC000012482101 523170516 /nfs/dbraw/zinc/17/05/16/523170516.db2.gz UWHLPRFHSAYEJC-GOTSBHOMSA-N 2 1 490.604 3.510 40 0 biogenic,in-vitro JHABMP C[NH+](C)CCNC(=O)c1ccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](CCOCc3ccccc3)C2)cc1 ZINC000257329369 570147358 /nfs/dbraw/zinc/14/73/58/570147358.db2.gz XJRZUTBERIYRQF-RUZDIDTESA-N 2 1 475.637 3.764 40 0 JHABMP C[N@@H+](Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000257269250 570129418 /nfs/dbraw/zinc/12/94/18/570129418.db2.gz MPFCJPKURYKDCI-MHZLTWQESA-N 2 1 453.602 3.523 40 0 JHABMP Cc1noc(C)c1COc1ccc(CN2CC[C@](O)(C[NH+]3CCN(c4ccccc4)CC3)C2)cc1 ZINC000257307859 570140696 /nfs/dbraw/zinc/14/06/96/570140696.db2.gz TUKKHBVWSNYICT-NDEPHWFRSA-N 2 1 476.621 3.629 40 0 JHABMP CC(C)[C@H](C[N@@H+]1CC[C@](C)(c2cccc(O)c2)[C@H](C)C1)NC(=O)[C@@H]1Cc2ccc(O)cc2C[NH2+]1 ZINC000256070670 570107154 /nfs/dbraw/zinc/10/71/54/570107154.db2.gz ZLVXBBHTMQJRSX-LLOSZVIFSA-N 2 1 465.638 3.553 40 0 JHABMP CC(C)[C@H](C[N@H+]1CC[C@](C)(c2cccc(O)c2)[C@H](C)C1)NC(=O)[C@@H]1Cc2ccc(O)cc2C[NH2+]1 ZINC000256070670 570107155 /nfs/dbraw/zinc/10/71/55/570107155.db2.gz ZLVXBBHTMQJRSX-LLOSZVIFSA-N 2 1 465.638 3.553 40 0 JHABMP COc1cc(C[N@@H+](C)C[C@H](O)Cn2c3ccccc3nc2C(F)(F)F)ccc1OCCC[NH+](C)C ZINC000257234010 570118321 /nfs/dbraw/zinc/11/83/21/570118321.db2.gz GRSAHDFRCSULTH-IBGZPJMESA-N 2 1 494.558 3.887 40 0 JHABMP C[NH+]1CCN(C(=O)C[C@]2(COc3ccc(Cl)cc3)CN(Cc3ccc4[nH]ccc4c3)CCO2)CC1 ZINC000257322551 570145238 /nfs/dbraw/zinc/14/52/38/570145238.db2.gz WGKLDMJEQPBVOB-HHHXNRCGSA-N 2 1 497.039 3.635 40 0 JHABMP CC(C)[C@@H](C[N@@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2C[NH2+]1 ZINC000003940643 194367002 /nfs/dbraw/zinc/36/70/02/194367002.db2.gz ZLVXBBHTMQJRSX-VMGNSXQWSA-N 2 1 465.638 3.553 40 0 in-vitro JHABMP CC(C)[C@@H](C[N@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)NC(=O)[C@H]1Cc2ccc(O)cc2C[NH2+]1 ZINC000003940643 194367004 /nfs/dbraw/zinc/36/70/04/194367004.db2.gz ZLVXBBHTMQJRSX-VMGNSXQWSA-N 2 1 465.638 3.553 40 0 in-vitro JHABMP COc1cc(C[N@@H+](C)C[C@@H](O)Cn2c3ccccc3nc2C(F)(F)F)ccc1OCCC[NH+](C)C ZINC000257234011 570118250 /nfs/dbraw/zinc/11/82/50/570118250.db2.gz GRSAHDFRCSULTH-LJQANCHMSA-N 2 1 494.558 3.887 40 0 JHABMP C[N@H+]1[C@@H](c2ccccc2)C[C@]2(C)[C@H]1CCC[C@@H]([NH2+]Cc1cccc(CN3CCOCC3)c1)[C@@H]2O ZINC000257235302 570118726 /nfs/dbraw/zinc/11/87/26/570118726.db2.gz GXGHCGXDHARVRL-SXEGYFPYSA-N 2 1 463.666 3.974 40 0 JHABMP C[N@H+](Cc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)NCc2cccs2)no1)Cc1ccccc1 ZINC000012482138 523171716 /nfs/dbraw/zinc/17/17/16/523171716.db2.gz ZHQLWOMSCYQVDX-SFTDATJTSA-N 2 1 452.624 3.843 40 0 biogenic,in-vitro JHABMP C[N@@H+](Cc1cc(C[C@H]2C[NH2+]CC[C@H]2CC(=O)NCc2cccs2)no1)Cc1ccccc1 ZINC000012482138 523171722 /nfs/dbraw/zinc/17/17/22/523171722.db2.gz ZHQLWOMSCYQVDX-SFTDATJTSA-N 2 1 452.624 3.843 40 0 biogenic,in-vitro JHABMP O=C(NCC[NH+]1CCCC1)c1cc(-c2ccc(C[NH+]3CCOCC3)cc2)nc2ccc(F)cc21 ZINC000205126836 569873990 /nfs/dbraw/zinc/87/39/90/569873990.db2.gz BENUHBSJOJMZEE-UHFFFAOYSA-N 2 1 462.569 3.699 40 0 JHABMP Cc1cnn(C)c1CN1CCC[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCN(C)CC2)C1 ZINC000257298939 570138015 /nfs/dbraw/zinc/13/80/15/570138015.db2.gz RNZMTCUNJVWBBK-AREMUKBSSA-N 2 1 488.076 3.516 40 0 JHABMP COc1ccc(C[N@@H+](C)C[C@@]2(O)CCN(Cc3cccc(OCC[NH+]4CCCCC4)c3)C2)cc1 ZINC000257324598 570145837 /nfs/dbraw/zinc/14/58/37/570145837.db2.gz WPJWWOWPOUTAGQ-NDEPHWFRSA-N 2 1 467.654 3.629 40 0 JHABMP COc1ccc(CN(C)C[C@@]2(O)CC[N@H+](Cc3cccc(OCC[NH+]4CCCCC4)c3)C2)cc1 ZINC000257324598 570145838 /nfs/dbraw/zinc/14/58/38/570145838.db2.gz WPJWWOWPOUTAGQ-NDEPHWFRSA-N 2 1 467.654 3.629 40 0 JHABMP COc1ccc(CN(C)C[C@@]2(O)CC[N@@H+](Cc3cccc(OCC[NH+]4CCCCC4)c3)C2)cc1 ZINC000257324598 570145839 /nfs/dbraw/zinc/14/58/39/570145839.db2.gz WPJWWOWPOUTAGQ-NDEPHWFRSA-N 2 1 467.654 3.629 40 0 JHABMP Cc1ccccc1[C@@H]1C[NH+](CC(=O)N(C)C[C@@H]2CCC[N@H+](C(C)C)C2)C[C@H]1c1csnn1 ZINC000057774158 195359814 /nfs/dbraw/zinc/35/98/14/195359814.db2.gz ODUTYYZIAAVEMR-ACIOBRDBSA-N 2 1 455.672 3.608 40 0 JHABMP Cc1ccccc1[C@@H]1C[N@H+](CC(=O)N(C)C[C@@H]2CCC[NH+](C(C)C)C2)C[C@H]1c1csnn1 ZINC000057774158 195359817 /nfs/dbraw/zinc/35/98/17/195359817.db2.gz ODUTYYZIAAVEMR-ACIOBRDBSA-N 2 1 455.672 3.608 40 0 JHABMP Cc1ccccc1[C@@H]1C[N@@H+](CC(=O)N(C)C[C@@H]2CCC[NH+](C(C)C)C2)C[C@H]1c1csnn1 ZINC000057774158 195359820 /nfs/dbraw/zinc/35/98/20/195359820.db2.gz ODUTYYZIAAVEMR-ACIOBRDBSA-N 2 1 455.672 3.608 40 0 JHABMP COc1ccc(CCNC(=O)[C@H]2C[N@@H+](C)C[C@H]2c2cccc(C[NH2+]Cc3ccccc3)c2)cc1 ZINC000257301781 570138875 /nfs/dbraw/zinc/13/88/75/570138875.db2.gz RZWUKDPYYVGSOC-NSOVKSMOSA-N 2 1 457.618 3.989 40 0 JHABMP C[NH+](C)CCNC(=O)c1cccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](CCOCc3ccccc3)C2)c1 ZINC000257309069 570141009 /nfs/dbraw/zinc/14/10/09/570141009.db2.gz TZKDGFLUESRCAQ-RUZDIDTESA-N 2 1 475.637 3.764 40 0 JHABMP C[NH+]1CCN(C(=O)C[C@]2(COc3ccc(Cl)cc3)CN(Cc3cccc(Cl)c3)CCO2)CC1 ZINC000257341253 570150736 /nfs/dbraw/zinc/15/07/36/570150736.db2.gz ZJNXILZQPGDMDA-RUZDIDTESA-N 2 1 492.447 3.808 40 0 JHABMP CC(=O)Nc1ccc(C[NH+]2CCC([C@@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@@H+]3C)CC2)cc1 ZINC000057774430 195360207 /nfs/dbraw/zinc/36/02/07/195360207.db2.gz HNDFKJNTUOKCBK-OFVILXPXSA-N 2 1 452.574 3.955 40 0 JHABMP C[NH+](C)CCNC(=O)c1cccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](CCOCc3ccccc3)C2)c1 ZINC000257309070 570140969 /nfs/dbraw/zinc/14/09/69/570140969.db2.gz TZKDGFLUESRCAQ-VWLOTQADSA-N 2 1 475.637 3.764 40 0 JHABMP COc1ccc(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2c2cccc(C[NH2+]Cc3ccccc3)c2)cc1 ZINC000257301782 570138922 /nfs/dbraw/zinc/13/89/22/570138922.db2.gz RZWUKDPYYVGSOC-VSGBNLITSA-N 2 1 457.618 3.989 40 0 JHABMP COc1ccc(CCCN2C(=O)CCc3c(C)nc([C@@H]4CCC[N@@H+](C5CC[NH2+]CC5)C4)nc32)cc1 ZINC000257200032 570107764 /nfs/dbraw/zinc/10/77/64/570107764.db2.gz ABSVTGRIDTXLNC-JOCHJYFZSA-N 2 1 477.653 3.637 40 0 JHABMP COc1ccc(CCCN2C(=O)CCc3c(C)nc([C@@H]4CCC[N@H+](C5CC[NH2+]CC5)C4)nc32)cc1 ZINC000257200032 570107766 /nfs/dbraw/zinc/10/77/66/570107766.db2.gz ABSVTGRIDTXLNC-JOCHJYFZSA-N 2 1 477.653 3.637 40 0 JHABMP COc1ccc(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2cccc(C[NH2+]Cc3ccccc3)c2)cc1 ZINC000257301783 570139019 /nfs/dbraw/zinc/13/90/19/570139019.db2.gz RZWUKDPYYVGSOC-WUFINQPMSA-N 2 1 457.618 3.989 40 0 JHABMP COc1ccc(C[N@@H+](C)C[C@]2(O)CCN(Cc3cccc(OCC[NH+]4CCCCC4)c3)C2)cc1 ZINC000257324597 570145800 /nfs/dbraw/zinc/14/58/00/570145800.db2.gz WPJWWOWPOUTAGQ-MUUNZHRXSA-N 2 1 467.654 3.629 40 0 JHABMP COc1ccc(CN(C)C[C@]2(O)CC[N@H+](Cc3cccc(OCC[NH+]4CCCCC4)c3)C2)cc1 ZINC000257324597 570145801 /nfs/dbraw/zinc/14/58/01/570145801.db2.gz WPJWWOWPOUTAGQ-MUUNZHRXSA-N 2 1 467.654 3.629 40 0 JHABMP COc1ccc(CN(C)C[C@]2(O)CC[N@@H+](Cc3cccc(OCC[NH+]4CCCCC4)c3)C2)cc1 ZINC000257324597 570145802 /nfs/dbraw/zinc/14/58/02/570145802.db2.gz WPJWWOWPOUTAGQ-MUUNZHRXSA-N 2 1 467.654 3.629 40 0 JHABMP C[NH+](C)CCNC(=O)c1ccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](CCOCc3ccccc3)C2)cc1 ZINC000257329370 570147363 /nfs/dbraw/zinc/14/73/63/570147363.db2.gz XJRZUTBERIYRQF-VWLOTQADSA-N 2 1 475.637 3.764 40 0 JHABMP O=C1CCC[C@]2(C[N@H+](Cc3ccccc3OCC[NH+]3CCCC3)C[C@H]2c2ccc(F)cc2)N1 ZINC000257231398 570117388 /nfs/dbraw/zinc/11/73/88/570117388.db2.gz GGNLCSULHCSRFZ-RPLLCQBOSA-N 2 1 451.586 3.939 40 0 JHABMP Cc1cc(CN2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)c(C)s1 ZINC000257316566 570143502 /nfs/dbraw/zinc/14/35/02/570143502.db2.gz VGCDZPNDABGMHS-VWLOTQADSA-N 2 1 492.085 3.832 40 0 JHABMP Cc1[nH+]ccn1[C@@H]1CCCC[C@@H](N(C)C(=O)c2ccc(OCC[NH+]3CCCCC3)cc2)[C@H]1O ZINC000257327820 570146823 /nfs/dbraw/zinc/14/68/23/570146823.db2.gz XCVZPZJCTBGCDQ-UBFVSLLYSA-N 2 1 454.615 3.673 40 0 JHABMP COc1ccccc1C[NH2+]C[C@H]1O[C@H](Cc2cc(C[N@H+](C)Cc3ccccc3)on2)CC[C@@H]1O ZINC000096268988 537048132 /nfs/dbraw/zinc/04/81/32/537048132.db2.gz ARBOOIHJHIINQP-SCTDOJESSA-N 2 1 465.594 3.556 40 0 biogenic,in-vitro JHABMP COc1ccccc1C[NH2+]C[C@H]1O[C@H](Cc2cc(C[N@@H+](C)Cc3ccccc3)on2)CC[C@@H]1O ZINC000096268988 537048136 /nfs/dbraw/zinc/04/81/36/537048136.db2.gz ARBOOIHJHIINQP-SCTDOJESSA-N 2 1 465.594 3.556 40 0 biogenic,in-vitro JHABMP Cc1cc(CN2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)c(C)s1 ZINC000257316565 570143529 /nfs/dbraw/zinc/14/35/29/570143529.db2.gz VGCDZPNDABGMHS-RUZDIDTESA-N 2 1 492.085 3.832 40 0 JHABMP COc1ccc(CNC(=O)C[C@@H]2CC[NH2+]C[C@@H]2Cc2cc(C[N@H+](C)Cc3ccccc3)on2)cc1 ZINC000008623778 524054329 /nfs/dbraw/zinc/05/43/29/524054329.db2.gz QVNNNWHQVXSOFN-ZEQRLZLVSA-N 2 1 476.621 3.790 40 0 biogenic,in-vitro JHABMP COc1ccc(CNC(=O)C[C@@H]2CC[NH2+]C[C@@H]2Cc2cc(C[N@@H+](C)Cc3ccccc3)on2)cc1 ZINC000008623778 524054332 /nfs/dbraw/zinc/05/43/32/524054332.db2.gz QVNNNWHQVXSOFN-ZEQRLZLVSA-N 2 1 476.621 3.790 40 0 biogenic,in-vitro JHABMP Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CCC[N@@H+](Cc3ccc[nH]3)C2)ccc1Cl ZINC000257203285 570108778 /nfs/dbraw/zinc/10/87/78/570108778.db2.gz APJBXUKBUMVXNN-VWLOTQADSA-N 2 1 459.034 3.802 40 0 JHABMP Cc1cc(OC[C@]2(CC(=O)N3CC[NH+](C)CC3)CCC[N@H+](Cc3ccc[nH]3)C2)ccc1Cl ZINC000257203285 570108779 /nfs/dbraw/zinc/10/87/79/570108779.db2.gz APJBXUKBUMVXNN-VWLOTQADSA-N 2 1 459.034 3.802 40 0 JHABMP Cc1ccccc1[C@@H]1C[NH+](CC(=O)N(C)C[C@H]2CCC[N@H+](C(C)C)C2)C[C@H]1c1csnn1 ZINC000057774162 195359864 /nfs/dbraw/zinc/35/98/64/195359864.db2.gz ODUTYYZIAAVEMR-AKIFATBCSA-N 2 1 455.672 3.608 40 0 JHABMP Cc1ccccc1[C@@H]1C[N@H+](CC(=O)N(C)C[C@H]2CCC[NH+](C(C)C)C2)C[C@H]1c1csnn1 ZINC000057774162 195359867 /nfs/dbraw/zinc/35/98/67/195359867.db2.gz ODUTYYZIAAVEMR-AKIFATBCSA-N 2 1 455.672 3.608 40 0 JHABMP Cc1ccccc1[C@@H]1C[N@@H+](CC(=O)N(C)C[C@H]2CCC[NH+](C(C)C)C2)C[C@H]1c1csnn1 ZINC000057774162 195359870 /nfs/dbraw/zinc/35/98/70/195359870.db2.gz ODUTYYZIAAVEMR-AKIFATBCSA-N 2 1 455.672 3.608 40 0 JHABMP O=C1CCC[C@]2(C[N@H+](Cc3ccccc3OCC[NH+]3CCCC3)C[C@H]2c2cccc(F)c2)N1 ZINC000257211551 570111598 /nfs/dbraw/zinc/11/15/98/570111598.db2.gz BZICTRQZKJFNLT-RPLLCQBOSA-N 2 1 451.586 3.939 40 0 JHABMP COc1ccc(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2cccc(C[NH2+]Cc3ccccc3)c2)cc1 ZINC000257301780 570138956 /nfs/dbraw/zinc/13/89/56/570138956.db2.gz RZWUKDPYYVGSOC-IZLXSDGUSA-N 2 1 457.618 3.989 40 0 JHABMP Cc1cnn(C)c1CN1CCC[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCN(C)CC2)C1 ZINC000257298940 570138039 /nfs/dbraw/zinc/13/80/39/570138039.db2.gz RNZMTCUNJVWBBK-SANMLTNESA-N 2 1 488.076 3.516 40 0 JHABMP C[N@H+]1[C@@H](c2ccccc2)C[C@]2(C)[C@H]1CCC[C@@H]([NH2+]Cc1ccc(OCCN3CCOCC3)cc1)[C@@H]2O ZINC000257326955 570146658 /nfs/dbraw/zinc/14/66/58/570146658.db2.gz WZGCYAKNAAUQAY-PZXNIVHWSA-N 2 1 493.692 3.852 40 0 JHABMP O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(COc2ccccc2)on1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000015673558 555932875 /nfs/dbraw/zinc/93/28/75/555932875.db2.gz DRUHLAWIHKSWLB-DQEYMECFSA-N 2 1 488.632 3.756 40 0 biogenic,in-vitro JHABMP C[NH+]1CCN(C(=O)C[C@@]2(COc3ccc(Cl)cc3)CN(Cc3cccc(Cl)c3)CCO2)CC1 ZINC000257341254 570150696 /nfs/dbraw/zinc/15/06/96/570150696.db2.gz ZJNXILZQPGDMDA-VWLOTQADSA-N 2 1 492.447 3.808 40 0 JHABMP