smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000506465910 1066463646 /nfs/dbraw/zinc/46/36/46/1066463646.db2.gz KHMUWGUTXVSFPG-UHFFFAOYSA-N 1 1 500.002 4.735 20 0 KJADMO CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000506465910 1066463641 /nfs/dbraw/zinc/46/36/41/1066463641.db2.gz KHMUWGUTXVSFPG-UHFFFAOYSA-N 1 1 500.002 4.735 20 0 KJADMO NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1 ZINC000511427996 1066314451 /nfs/dbraw/zinc/31/44/51/1066314451.db2.gz JRWPJHMOILXDRG-RUZDIDTESA-N 1 1 500.002 4.895 20 0 KJADMO NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1 ZINC000511427996 1066314434 /nfs/dbraw/zinc/31/44/34/1066314434.db2.gz JRWPJHMOILXDRG-RUZDIDTESA-N 1 1 500.002 4.895 20 0 KJADMO NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1 ZINC000511427997 1066314205 /nfs/dbraw/zinc/31/42/05/1066314205.db2.gz JRWPJHMOILXDRG-VWLOTQADSA-N 1 1 500.002 4.895 20 0 KJADMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1 ZINC000511427997 1066314190 /nfs/dbraw/zinc/31/41/90/1066314190.db2.gz JRWPJHMOILXDRG-VWLOTQADSA-N 1 1 500.002 4.895 20 0 KJADMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)cc2)CC1 ZINC000511748370 1066392976 /nfs/dbraw/zinc/39/29/76/1066392976.db2.gz MNDUVPOXGQJSNQ-UHFFFAOYSA-N 1 1 500.002 4.833 20 0 KJADMO CC[C@H](c1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000514293064 1066409312 /nfs/dbraw/zinc/40/93/12/1066409312.db2.gz PDRXLSLGNDXDOZ-RUZDIDTESA-N 1 1 586.784 4.502 20 0 KJADMO CC[C@@H](c1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000514293065 1066409264 /nfs/dbraw/zinc/40/92/64/1066409264.db2.gz PDRXLSLGNDXDOZ-VWLOTQADSA-N 1 1 586.784 4.502 20 0 KJADMO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nnc([C@H](CC)[NH+](C)C)n1-c1ccc(OC)cc1 ZINC000514294406 1066413900 /nfs/dbraw/zinc/41/39/00/1066413900.db2.gz YYTIHOGYAFQLCM-IBGZPJMESA-N 1 1 559.714 4.769 20 0 KJADMO CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nnc([C@@H](CC)[NH+](C)C)n1-c1ccc(OC)cc1 ZINC000514294407 1066414030 /nfs/dbraw/zinc/41/40/30/1066414030.db2.gz YYTIHOGYAFQLCM-LJQANCHMSA-N 1 1 559.714 4.769 20 0 KJADMO CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N(CC)CC(=O)Nc3ccccc3C(F)(F)F)c2c1C ZINC000514295281 1066414021 /nfs/dbraw/zinc/41/40/21/1066414021.db2.gz BIASGTOIVUPGAK-UHFFFAOYSA-N 1 1 523.581 4.722 20 0 KJADMO CC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 ZINC000514297300 1066415188 /nfs/dbraw/zinc/41/51/88/1066415188.db2.gz PGTUFICYVGJIQU-NRFANRHFSA-N 1 1 560.120 4.532 20 0 KJADMO CC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 ZINC000514297302 1066415071 /nfs/dbraw/zinc/41/50/71/1066415071.db2.gz PGTUFICYVGJIQU-OAQYLSRUSA-N 1 1 560.120 4.532 20 0 KJADMO CCCn1c(CSc2nnc([C@@H](CC)[NH+](C)C)n2-c2ccc(OC)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000514301226 1066417975 /nfs/dbraw/zinc/41/79/75/1066417975.db2.gz YFTSDJMNJSHEHE-HSZRJFAPSA-N 1 1 571.773 4.591 20 0 KJADMO CCCn1c(CSc2nnc([C@H](CC)[NH+](C)C)n2-c2ccc(OC)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000514301230 1066417785 /nfs/dbraw/zinc/41/77/85/1066417785.db2.gz YFTSDJMNJSHEHE-QHCPKHFHSA-N 1 1 571.773 4.591 20 0 KJADMO O=C(CC[NH+]1CCC(C(=O)N2CCCCC2)CC1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)c(Cl)c1 ZINC000514379603 1066436681 /nfs/dbraw/zinc/43/66/81/1066436681.db2.gz APXHWVCIDOHCBD-UHFFFAOYSA-N 1 1 567.539 4.847 20 0 KJADMO Cc1ccccc1[C@H](OC[C@H](O)C[NH+]1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)c1ccccc1 ZINC000514382816 1066438032 /nfs/dbraw/zinc/43/80/32/1066438032.db2.gz AEXAVIQCLNJLOY-FUFSCUOVSA-N 1 1 541.614 4.737 20 0 KJADMO Cc1ccccc1[C@@H](OC[C@H](O)C[NH+]1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)c1ccccc1 ZINC000514382818 1066438090 /nfs/dbraw/zinc/43/80/90/1066438090.db2.gz AEXAVIQCLNJLOY-GIGWZHCTSA-N 1 1 541.614 4.737 20 0 KJADMO Cc1ccccc1[C@@H](OC[C@@H](O)C[NH+]1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)c1ccccc1 ZINC000514382819 1066438148 /nfs/dbraw/zinc/43/81/48/1066438148.db2.gz AEXAVIQCLNJLOY-OUTSHDOLSA-N 1 1 541.614 4.737 20 0 KJADMO Cc1ccccc1[C@H](OC[C@@H](O)C[NH+]1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)c1ccccc1 ZINC000514382820 1066438108 /nfs/dbraw/zinc/43/81/08/1066438108.db2.gz AEXAVIQCLNJLOY-PWUYWRBVSA-N 1 1 541.614 4.737 20 0 KJADMO O=C(CC[NH+]1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)Nc1cc(Cl)ccc1Cl ZINC000514391620 1066448319 /nfs/dbraw/zinc/44/83/19/1066448319.db2.gz MIHNENOFNWUSNP-UHFFFAOYSA-N 1 1 503.352 4.597 20 0 KJADMO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH+]1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000514391800 1066454293 /nfs/dbraw/zinc/45/42/93/1066454293.db2.gz OQGYXCHVIRYGRD-UHFFFAOYSA-N 1 1 563.024 4.746 20 0 KJADMO CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000514392496 1066456231 /nfs/dbraw/zinc/45/62/31/1066456231.db2.gz WWEGNWOPKZENPH-JOCHJYFZSA-N 1 1 538.939 4.689 20 0 KJADMO CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000514392496 1066456226 /nfs/dbraw/zinc/45/62/26/1066456226.db2.gz WWEGNWOPKZENPH-JOCHJYFZSA-N 1 1 538.939 4.689 20 0 KJADMO CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000514392497 1066456294 /nfs/dbraw/zinc/45/62/94/1066456294.db2.gz WWEGNWOPKZENPH-QFIPXVFZSA-N 1 1 538.939 4.689 20 0 KJADMO CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000514392497 1066456288 /nfs/dbraw/zinc/45/62/88/1066456288.db2.gz WWEGNWOPKZENPH-QFIPXVFZSA-N 1 1 538.939 4.689 20 0 KJADMO CC[C@@H](c1nnc(SCC(=O)Nc2cc3c(cc2Cl)OCCCO3)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000514392529 1066456208 /nfs/dbraw/zinc/45/62/08/1066456208.db2.gz XMQKLVPDRJHHTO-FQEVSTJZSA-N 1 1 532.066 4.834 20 0 KJADMO CC[C@H](c1nnc(SCC(=O)Nc2cc3c(cc2Cl)OCCCO3)n1-c1ccc(OC)cc1)[NH+](C)C ZINC000514392531 1066456305 /nfs/dbraw/zinc/45/63/05/1066456305.db2.gz XMQKLVPDRJHHTO-HXUWFJFHSA-N 1 1 532.066 4.834 20 0 KJADMO COc1ccc(C[N@H+]2CCCN(C(=O)C3CCN(S(=O)(=O)c4ccc(Cl)c(C(F)(F)F)c4)CC3)CC2)cc1 ZINC000514393408 1066457465 /nfs/dbraw/zinc/45/74/65/1066457465.db2.gz ZWUHISCTNJTTGU-UHFFFAOYSA-N 1 1 574.065 4.503 20 0 KJADMO COc1ccc(C[N@H+]2CCCN(C(=O)C3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)CC2)cc1 ZINC000514393886 1066457506 /nfs/dbraw/zinc/45/75/06/1066457506.db2.gz ALHXWJLYEORKIT-UHFFFAOYSA-N 1 1 510.988 4.713 20 0 KJADMO O=C(c1ccc(C(F)(F)F)cc1)N1CCC(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000514394916 1066458876 /nfs/dbraw/zinc/45/88/76/1066458876.db2.gz WHEXASYMKPVFMC-UHFFFAOYSA-N 1 1 507.984 4.946 20 0 KJADMO O=C(c1ccc(C(F)(F)F)cc1)N1CCC(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000514394916 1066458871 /nfs/dbraw/zinc/45/88/71/1066458871.db2.gz WHEXASYMKPVFMC-UHFFFAOYSA-N 1 1 507.984 4.946 20 0 KJADMO C[C@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000514395747 1066460429 /nfs/dbraw/zinc/46/04/29/1066460429.db2.gz SCFDHHXQLNSEIR-AZUAARDMSA-N 1 1 512.079 4.717 20 0 KJADMO C[C@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000514395748 1066460511 /nfs/dbraw/zinc/46/05/11/1066460511.db2.gz SCFDHHXQLNSEIR-ICSRJNTNSA-N 1 1 512.079 4.717 20 0 KJADMO C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000514395749 1066460475 /nfs/dbraw/zinc/46/04/75/1066460475.db2.gz SCFDHHXQLNSEIR-QUCCMNQESA-N 1 1 512.079 4.717 20 0 KJADMO C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000514395750 1066460459 /nfs/dbraw/zinc/46/04/59/1066460459.db2.gz SCFDHHXQLNSEIR-UYAOXDASSA-N 1 1 512.079 4.717 20 0 KJADMO Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[nH]c(C[NH2+][C@@H](CN3CCOCC3)c3ccc(C)cc3)nc(=O)c12 ZINC000514401171 1066449973 /nfs/dbraw/zinc/44/99/73/1066449973.db2.gz OHKOCWCKCNKFLX-DEOSSOPVSA-N 1 1 545.709 4.634 20 0 KJADMO Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[nH]c(C[NH2+][C@H](CN3CCOCC3)c3ccc(C)cc3)nc(=O)c12 ZINC000514401172 1066449928 /nfs/dbraw/zinc/44/99/28/1066449928.db2.gz OHKOCWCKCNKFLX-XMMPIXPASA-N 1 1 545.709 4.634 20 0 KJADMO CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3C[N@H+](C)C3CCCCC3)CC2)cc1 ZINC000514402048 1066450410 /nfs/dbraw/zinc/45/04/10/1066450410.db2.gz KSCBMGQIELJYPA-UHFFFAOYSA-N 1 1 511.688 4.693 20 0 KJADMO CC(C)C(=O)N1CCC(C(=O)N2CC[NH+](Cc3ccc(-c4ccc(Br)cc4)s3)CC2)CC1 ZINC000514402868 1066451568 /nfs/dbraw/zinc/45/15/68/1066451568.db2.gz SFEZSRGEDSPBJT-UHFFFAOYSA-N 1 1 518.521 4.716 20 0 KJADMO CCOc1ccc(NC(=O)CSc2nnc([C@H](CC)[NH+](C)C)n2-c2ccc(OC)cc2)cc1OCC ZINC000514402919 1066451734 /nfs/dbraw/zinc/45/17/34/1066451734.db2.gz HHMBXCNSULTEMZ-NRFANRHFSA-N 1 1 513.664 4.817 20 0 KJADMO CCOc1ccc(NC(=O)CSc2nnc([C@@H](CC)[NH+](C)C)n2-c2ccc(OC)cc2)cc1OCC ZINC000514402920 1066451516 /nfs/dbraw/zinc/45/15/16/1066451516.db2.gz HHMBXCNSULTEMZ-OAQYLSRUSA-N 1 1 513.664 4.817 20 0 KJADMO CCc1cc[n+](C(C(=O)c2ccc3c(c2)CCO3)C(=S)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000920396247 1066486036 /nfs/dbraw/zinc/48/60/36/1066486036.db2.gz DGOVYMBWONJLBG-UHFFFAOYSA-O 1 1 500.688 4.937 20 0 KJADMO O=C(c1cc2ccccc2o1)C(C(=S)NC1CCN(Cc2ccccc2)CC1)[n+]1cccc(CO)c1 ZINC000920396414 1066486117 /nfs/dbraw/zinc/48/61/17/1066486117.db2.gz KJJDMMBAEVWTTF-UHFFFAOYSA-O 1 1 500.644 4.678 20 0 KJADMO CCc1cccc[n+]1C(C(=O)c1ccc2c(c1)CCO2)C(=S)NC1CCN(Cc2ccccc2)CC1 ZINC000920396422 1066486074 /nfs/dbraw/zinc/48/60/74/1066486074.db2.gz KYALEQHXAFPKCX-UHFFFAOYSA-O 1 1 500.688 4.937 20 0 KJADMO Clc1ccc(Cn2cc(C[N@H+]3CCCn4nnc(COc5cccnc5)c4C3)c3ccccc32)cn1 ZINC001139444840 1067164734 /nfs/dbraw/zinc/16/47/34/1067164734.db2.gz ZVGYSFOMQFUFKR-UHFFFAOYSA-N 1 1 500.006 4.709 20 0 KJADMO Clc1ccc(Cn2cc(C[N@@H+]3CCCn4nnc(COc5cccnc5)c4C3)c3ccccc32)cn1 ZINC001139444840 1067164730 /nfs/dbraw/zinc/16/47/30/1067164730.db2.gz ZVGYSFOMQFUFKR-UHFFFAOYSA-N 1 1 500.006 4.709 20 0 KJADMO Cn1nc(C(=O)NC2(Cc3ccc(Cl)cc3)CCN(c3[nH+]cnc4[nH]ccc43)CC2)c2ccccc21 ZINC001149793335 1067165539 /nfs/dbraw/zinc/16/55/39/1067165539.db2.gz ABILARRRPLCHEC-UHFFFAOYSA-N 1 1 500.006 4.510 20 0 KJADMO Cn1cc2ccc(C(=O)NC3(Cc4ccc(Cl)cc4)CCN(c4[nH+]cnc5[nH]ccc54)CC3)cc2n1 ZINC001151520553 1067165427 /nfs/dbraw/zinc/16/54/27/1067165427.db2.gz YXMIBBRRKCSJRW-UHFFFAOYSA-N 1 1 500.006 4.510 20 0 KJADMO Cn1ccc2c1nccc2C(=O)NC1(Cc2ccc(Cl)cc2)CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC001151802089 1067165168 /nfs/dbraw/zinc/16/51/68/1067165168.db2.gz ISAIZNVKDSXALA-UHFFFAOYSA-N 1 1 500.006 4.510 20 0 KJADMO Cc1cn2cccc(C(=O)NC3(Cc4ccc(Cl)cc4)CCN(c4[nH+]cnc5[nH]ccc54)CC3)c2n1 ZINC001153601564 1067165142 /nfs/dbraw/zinc/16/51/42/1067165142.db2.gz QCHXUSHKBUSUQB-UHFFFAOYSA-N 1 1 500.006 4.579 20 0 KJADMO Cc1nc2c(cccc2C(=O)NC2(Cc3ccc(Cl)cc3)CCN(c3[nH+]cnc4[nH]ccc43)CC2)[nH]1 ZINC001153616700 1067165184 /nfs/dbraw/zinc/16/51/84/1067165184.db2.gz SQJOKKXBIUNSHP-UHFFFAOYSA-N 1 1 500.006 4.808 20 0 KJADMO Cn1c2ccccc2nc1C(=O)NC1(Cc2ccc(Cl)cc2)CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC001153642660 1067165629 /nfs/dbraw/zinc/16/56/29/1067165629.db2.gz QNZUUEAZCAHIBB-UHFFFAOYSA-N 1 1 500.006 4.510 20 0 KJADMO Cn1ncc2cccc(C(=O)NC3(Cc4ccc(Cl)cc4)CCN(c4[nH+]cnc5[nH]ccc54)CC3)c21 ZINC001153687631 1067165118 /nfs/dbraw/zinc/16/51/18/1067165118.db2.gz JXDGLKJXOIKPMB-UHFFFAOYSA-N 1 1 500.006 4.510 20 0 KJADMO O=C(NC1(Cc2ccc(Cl)cc2)CCN(c2[nH+]cnc3[nH]ccc32)CC1)c1cccc2c1C(=O)CC2 ZINC001154407803 1067165458 /nfs/dbraw/zinc/16/54/58/1067165458.db2.gz VWTMJHBPDLAXSL-UHFFFAOYSA-N 1 1 500.002 4.752 20 0 KJADMO Cn1cnc2c1cccc2C(=O)NC1(Cc2ccc(Cl)cc2)CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC001155004922 1067165316 /nfs/dbraw/zinc/16/53/16/1067165316.db2.gz ZBEIHVDSALPASL-UHFFFAOYSA-N 1 1 500.006 4.510 20 0 KJADMO Cc1n[nH]c2ccc(C(=O)NC3(Cc4ccc(Cl)cc4)CCN(c4[nH+]cnc5[nH]ccc54)CC3)cc12 ZINC001155576330 1067165286 /nfs/dbraw/zinc/16/52/86/1067165286.db2.gz QDUIJPXOBPHLSY-UHFFFAOYSA-N 1 1 500.006 4.808 20 0 KJADMO Cc1cccn2ncc(C(=O)NC3(Cc4ccc(Cl)cc4)CCN(c4[nH+]cnc5[nH]ccc54)CC3)c12 ZINC001155633083 1067165485 /nfs/dbraw/zinc/16/54/85/1067165485.db2.gz GRWFSCVIXMHYOB-UHFFFAOYSA-N 1 1 500.006 4.579 20 0 KJADMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3c1ncn3Cc1ccccc1)C2 ZINC001164908899 721749981 /nfs/dbraw/zinc/74/99/81/721749981.db2.gz NYIPCITUCXKXHC-UHFFFAOYSA-N 1 1 500.006 4.711 20 0 KJADMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nc(Cl)nc3c1ncn3Cc1ccccc1)C2 ZINC001164908899 721749979 /nfs/dbraw/zinc/74/99/79/721749979.db2.gz NYIPCITUCXKXHC-UHFFFAOYSA-N 1 1 500.006 4.711 20 0 KJADMO COc1ccc(Cn2cc3[nH]c(N4CCN(c5cc[nH+]c6cc(Cl)ccc65)CC4)ccc-3c2=O)cc1 ZINC001166571264 1067167794 /nfs/dbraw/zinc/16/77/94/1067167794.db2.gz GUTUQSMUUFHQMF-UHFFFAOYSA-N 1 1 500.002 4.774 20 0 KJADMO C[N@@H+](Cc1cc(-c2ccccc2F)n(S(=O)(=O)c2cccnc2)c1)C1CC(C)(C)N(O)C(C)(C)C1 ZINC001170008359 1066505817 /nfs/dbraw/zinc/50/58/17/1066505817.db2.gz DBYLKOOIFHLCEU-UHFFFAOYSA-N 1 1 500.640 4.769 20 0 KJADMO Cn1ncc2c1cccc2C(=O)NC1(Cc2ccc(Cl)cc2)CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC001201306931 1066511125 /nfs/dbraw/zinc/51/11/25/1066511125.db2.gz YIHLFBUZPIREFF-UHFFFAOYSA-N 1 1 500.006 4.510 20 0 KJADMO Cc1cc(-c2noc(-c3ccc4nnc([C@H]5C[N@H+](Cc6ccccc6)CCN5C)n4c3)n2)ccc1Cl ZINC001217235643 1067167683 /nfs/dbraw/zinc/16/76/83/1067167683.db2.gz CEGKIMNEMKUTJN-HSZRJFAPSA-N 1 1 500.006 4.897 20 0 KJADMO Cc1cc(-c2noc(-c3ccc4nnc([C@@H]5C[N@H+](Cc6ccccc6)CCN5C)n4c3)n2)ccc1Cl ZINC001217235646 1067167618 /nfs/dbraw/zinc/16/76/18/1067167618.db2.gz CEGKIMNEMKUTJN-QHCPKHFHSA-N 1 1 500.006 4.897 20 0 KJADMO Cc1cccc(-c2noc(-c3ccc4nnc([C@H]5C[N@H+](Cc6ccccc6)CCN5C)n4c3)n2)c1Cl ZINC001217235910 1067167725 /nfs/dbraw/zinc/16/77/25/1067167725.db2.gz DYSZTJHHRSRHLF-JOCHJYFZSA-N 1 1 500.006 4.897 20 0 KJADMO Cc1cccc(-c2noc(-c3ccc4nnc([C@@H]5C[N@H+](Cc6ccccc6)CCN5C)n4c3)n2)c1Cl ZINC001217235921 1067167832 /nfs/dbraw/zinc/16/78/32/1067167832.db2.gz DYSZTJHHRSRHLF-QFIPXVFZSA-N 1 1 500.006 4.897 20 0 KJADMO Cc1cc(Cl)cc(-c2noc(-c3ccc4nnc([C@H]5C[N@H+](Cc6ccccc6)CCN5C)n4c3)n2)c1 ZINC001217237060 1067167811 /nfs/dbraw/zinc/16/78/11/1067167811.db2.gz LESOWKOGPIPNQA-HSZRJFAPSA-N 1 1 500.006 4.897 20 0 KJADMO Cc1cc(Cl)cc(-c2noc(-c3ccc4nnc([C@@H]5C[N@H+](Cc6ccccc6)CCN5C)n4c3)n2)c1 ZINC001217237077 1067167646 /nfs/dbraw/zinc/16/76/46/1067167646.db2.gz LESOWKOGPIPNQA-QHCPKHFHSA-N 1 1 500.006 4.897 20 0 KJADMO Cc1ccc(-c2noc(-c3ccc4nnc([C@H]5C[N@H+](Cc6ccccc6)CCN5C)n4c3)n2)cc1Cl ZINC001217237193 1067167700 /nfs/dbraw/zinc/16/77/00/1067167700.db2.gz LXTFBHINKJMENV-HSZRJFAPSA-N 1 1 500.006 4.897 20 0 KJADMO Cc1ccc(-c2noc(-c3ccc4nnc([C@@H]5C[N@H+](Cc6ccccc6)CCN5C)n4c3)n2)cc1Cl ZINC001217237195 1067167547 /nfs/dbraw/zinc/16/75/47/1067167547.db2.gz LXTFBHINKJMENV-QHCPKHFHSA-N 1 1 500.006 4.897 20 0 KJADMO Cc1ccc(-c2noc(-c3ccc4nnc([C@H]5C[N@H+](Cc6ccccc6)CCN5C)n4c3)n2)c(Cl)c1 ZINC001217237262 1067167595 /nfs/dbraw/zinc/16/75/95/1067167595.db2.gz MLCDVLFZVUQVGC-HSZRJFAPSA-N 1 1 500.006 4.897 20 0 KJADMO Cc1ccc(-c2noc(-c3ccc4nnc([C@@H]5C[N@H+](Cc6ccccc6)CCN5C)n4c3)n2)c(Cl)c1 ZINC001217237266 1067167524 /nfs/dbraw/zinc/16/75/24/1067167524.db2.gz MLCDVLFZVUQVGC-QHCPKHFHSA-N 1 1 500.006 4.897 20 0 KJADMO Cc1ccc(Cl)cc1-c1noc(-c2ccc3nnc([C@H]4C[N@H+](Cc5ccccc5)CCN4C)n3c2)n1 ZINC001217237352 1067167671 /nfs/dbraw/zinc/16/76/71/1067167671.db2.gz NGZFWNFPFGWWRO-HSZRJFAPSA-N 1 1 500.006 4.897 20 0 KJADMO Cc1ccc(Cl)cc1-c1noc(-c2ccc3nnc([C@@H]4C[N@H+](Cc5ccccc5)CCN4C)n3c2)n1 ZINC001217237353 1067167461 /nfs/dbraw/zinc/16/74/61/1067167461.db2.gz NGZFWNFPFGWWRO-QHCPKHFHSA-N 1 1 500.006 4.897 20 0 KJADMO Cc1ccc(Cl)c(-c2noc(-c3ccc4nnc([C@H]5C[N@H+](Cc6ccccc6)CCN5C)n4c3)n2)c1 ZINC001217238034 1067167755 /nfs/dbraw/zinc/16/77/55/1067167755.db2.gz SCQVZYQJJTVUBK-HSZRJFAPSA-N 1 1 500.006 4.897 20 0 KJADMO Cc1ccc(Cl)c(-c2noc(-c3ccc4nnc([C@@H]5C[N@H+](Cc6ccccc6)CCN5C)n4c3)n2)c1 ZINC001217238035 1067168526 /nfs/dbraw/zinc/16/85/26/1067168526.db2.gz SCQVZYQJJTVUBK-QHCPKHFHSA-N 1 1 500.006 4.897 20 0 KJADMO Cc1cc(Cl)ccc1-c1noc(-c2ccc3nnc([C@H]4C[N@H+](Cc5ccccc5)CCN4C)n3c2)n1 ZINC001217238058 1067168474 /nfs/dbraw/zinc/16/84/74/1067168474.db2.gz SLTJSSFQCRNDKT-HSZRJFAPSA-N 1 1 500.006 4.897 20 0 KJADMO Cc1cc(Cl)ccc1-c1noc(-c2ccc3nnc([C@@H]4C[N@H+](Cc5ccccc5)CCN4C)n3c2)n1 ZINC001217238059 1067168341 /nfs/dbraw/zinc/16/83/41/1067168341.db2.gz SLTJSSFQCRNDKT-QHCPKHFHSA-N 1 1 500.006 4.897 20 0 KJADMO Cc1c(Cl)cccc1-c1noc(-c2ccc3nnc([C@H]4C[N@H+](Cc5ccccc5)CCN4C)n3c2)n1 ZINC001217238304 1067168508 /nfs/dbraw/zinc/16/85/08/1067168508.db2.gz VFHTYKZXTBOPBR-HSZRJFAPSA-N 1 1 500.006 4.897 20 0 KJADMO Cc1c(Cl)cccc1-c1noc(-c2ccc3nnc([C@@H]4C[N@H+](Cc5ccccc5)CCN4C)n3c2)n1 ZINC001217238307 1067168433 /nfs/dbraw/zinc/16/84/33/1067168433.db2.gz VFHTYKZXTBOPBR-QHCPKHFHSA-N 1 1 500.006 4.897 20 0 KJADMO Nc1cc2[nH]ccc2c(C(=O)NC2(Cc3ccc(Cl)cc3)CCN(c3[nH+]cnc4[nH]ccc43)CC2)c1 ZINC001220542208 1067168362 /nfs/dbraw/zinc/16/83/62/1067168362.db2.gz PALXTFXVROHXCZ-UHFFFAOYSA-N 1 1 500.006 4.687 20 0 KJADMO CN1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1nnc2ccc(-c3nnc(Cc4ccc(Cl)cc4)o3)cn21 ZINC001254237352 1067170751 /nfs/dbraw/zinc/17/07/51/1067170751.db2.gz KQCIMAMSAARTFG-HSZRJFAPSA-N 1 1 500.006 4.512 20 0 KJADMO CN1CC[N@@H+](Cc2ccccc2)C[C@H]1c1nnc2ccc(-c3nnc(Cc4ccc(Cl)cc4)o3)cn21 ZINC001254237384 1067170782 /nfs/dbraw/zinc/17/07/82/1067170782.db2.gz KQCIMAMSAARTFG-QHCPKHFHSA-N 1 1 500.006 4.512 20 0 KJADMO CN1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1nnc2ccc(-c3nnc(Cc4ccccc4Cl)o3)cn21 ZINC001254342110 1067170835 /nfs/dbraw/zinc/17/08/35/1067170835.db2.gz PIRNESTXEUMAAS-HSZRJFAPSA-N 1 1 500.006 4.512 20 0 KJADMO CN1CC[N@@H+](Cc2ccccc2)C[C@H]1c1nnc2ccc(-c3nnc(Cc4ccccc4Cl)o3)cn21 ZINC001254342118 1067170647 /nfs/dbraw/zinc/17/06/47/1067170647.db2.gz PIRNESTXEUMAAS-QHCPKHFHSA-N 1 1 500.006 4.512 20 0 KJADMO CN1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1nnc2ccc(-c3nnc(Cc4cccc(Cl)c4)o3)cn21 ZINC001254420058 1067170585 /nfs/dbraw/zinc/17/05/85/1067170585.db2.gz ZFWGRFCQNVECGE-HSZRJFAPSA-N 1 1 500.006 4.512 20 0 KJADMO CN1CC[N@@H+](Cc2ccccc2)C[C@H]1c1nnc2ccc(-c3nnc(Cc4cccc(Cl)c4)o3)cn21 ZINC001254420059 1067170818 /nfs/dbraw/zinc/17/08/18/1067170818.db2.gz ZFWGRFCQNVECGE-QHCPKHFHSA-N 1 1 500.006 4.512 20 0 KJADMO Cc1cc(Cl)ccc1-c1nnc(-c2ccc3nnc([C@H]4C[N@H+](Cc5ccccc5)CCN4C)n3c2)o1 ZINC001255273550 1067170716 /nfs/dbraw/zinc/17/07/16/1067170716.db2.gz WZCBJZYQNUDRHE-HSZRJFAPSA-N 1 1 500.006 4.897 20 0 KJADMO Cc1cc(Cl)ccc1-c1nnc(-c2ccc3nnc([C@@H]4C[N@H+](Cc5ccccc5)CCN4C)n3c2)o1 ZINC001255273551 1067170857 /nfs/dbraw/zinc/17/08/57/1067170857.db2.gz WZCBJZYQNUDRHE-QHCPKHFHSA-N 1 1 500.006 4.897 20 0 KJADMO