smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC[N+](C)(C)C)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000005139608 204114470 /nfs/dbraw/zinc/11/44/70/204114470.db2.gz TZXATTMVGZDPHM-QURGRASLSA-N 1 0 390.895 5.196 40 10 GKCBRO CN(C)c1ccc(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccc(Cl)cc2)cc1 ZINC000095935039 211284614 /nfs/dbraw/zinc/28/46/14/211284614.db2.gz XXXMXQTVJZBBAG-DEOSSOPVSA-N 1 0 394.946 5.142 40 10 GKCBRO CN1CCCc2cc(C[N@@H+]3CCC[C@H]3c3ccc(Cc4ccccc4)cn3)ccc21 ZINC000257312066 209075193 /nfs/dbraw/zinc/07/51/93/209075193.db2.gz UMIZDHCSJCFKIK-MHZLTWQESA-N 1 0 397.566 5.392 40 10 GKCBRO CC1=NN(c2ccc(F)cc2)C(=O)C1=CNc1c2ccccc2[nH+]c2ccccc21 ZINC000100945119 570279722 /nfs/dbraw/zinc/27/97/22/570279722.db2.gz MCEWROKQEDYLGV-ZHZULCJRSA-N 1 0 396.425 5.246 40 10 GKCBRO CCNc1ccc(C(c2ccc(N(CC)CC)c(C)c2)=C2C=CC(=[NH2+])C=C2)cc1 ZINC000104175627 570298671 /nfs/dbraw/zinc/29/86/71/570298671.db2.gz PNPPRMIONFXQNF-UHFFFAOYSA-N 1 0 385.555 6.221 40 10 GKCBRO CCCCCCc1cc(C[NH+](C2CCCCC2)C2CCCCC2)c(O)cc1O ZINC000004991090 570422021 /nfs/dbraw/zinc/42/20/21/570422021.db2.gz APMAGTVQOJGFSO-UHFFFAOYSA-N 1 0 387.608 6.688 40 10 GKCBRO Cc1ccc(N[C@H](c2ccccc2)c2cc(Cl)c3cccnc3c2O)nc1 ZINC000045944526 212118310 /nfs/dbraw/zinc/11/83/10/212118310.db2.gz ASXQXISXNJMZSA-HXUWFJFHSA-N 1 0 375.859 5.499 40 10 GKCBRO CC[NH+](CC)CCOC(=O)c1ccc(NN=C2C=C(C)C(=O)C=C2C(C)C)cc1 ZINC000004769354 204073944 /nfs/dbraw/zinc/07/39/44/204073944.db2.gz MHQZEQWTDWMWTJ-OCOZRVBESA-N 1 0 397.519 5.738 40 10 GKCBRO CCN1c2c3ccsc3ccc2S/C1=C\c1ccc2cc(C)ccc2[n+]1C ZINC000004535106 211549304 /nfs/dbraw/zinc/54/93/04/211549304.db2.gz OBJILAFKLPTBRK-UHFFFAOYSA-N 1 0 389.569 6.118 40 10 GKCBRO CC[NH+](CC)CC1=c2ccccc2=CC(=NNc2cccc3ccccc32)C1=O ZINC000104200020 570299138 /nfs/dbraw/zinc/29/91/38/570299138.db2.gz ZIEAKLAIBVZNDU-RQZHXJHFSA-N 1 0 383.495 6.956 40 10 GKCBRO COc1cc([N+]#N)cc(OC)c1/N=N\c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000104229995 570299807 /nfs/dbraw/zinc/29/98/07/570299807.db2.gz WOVXXCUIZVKATN-VXPUYCOJSA-N 1 0 383.171 5.819 40 10 GKCBRO CC[NH+](CC)CCOC(=O)c1ccc(NN=C2C=C(Cl)C(C)=CC2=O)cc1 ZINC000004769361 570404594 /nfs/dbraw/zinc/40/45/94/570404594.db2.gz FTCZUKCXGMVRIF-GHVJWSGMSA-N 1 0 389.883 5.268 40 10 GKCBRO CC[NH+](CC)CCOC(=O)c1ccc(NN=C2C=CC(=O)c3ccccc32)cc1 ZINC000004769349 570404715 /nfs/dbraw/zinc/40/47/15/570404715.db2.gz URYRCAKCGLDEBK-OCOZRVBESA-N 1 0 391.471 5.459 40 10 GKCBRO C[NH+](C)Cc1cc(/N=N/c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1 ZINC000006006801 570463782 /nfs/dbraw/zinc/46/37/82/570463782.db2.gz RUFZYCYLQXSQLA-OCOZRVBESA-N 1 0 393.874 6.036 40 10 GKCBRO CC[n+]1c(/C=C2\Sc3ccc4sccc4c3N2C)ccc2cc(C)ccc21 ZINC000004535105 570631618 /nfs/dbraw/zinc/63/16/18/570631618.db2.gz SNRIYVUITWPMMQ-UHFFFAOYSA-N 1 0 389.569 6.211 40 10 GKCBRO C[C@]12CC3CC(C[NH2+]Cc4cc(Br)ccc4O)(C1)C[C@@](C)(C3)C2 ZINC000016790362 570933375 /nfs/dbraw/zinc/93/33/75/570933375.db2.gz KETWCKBIBJDNDA-ODNNXGBQSA-N 1 0 378.354 5.241 40 10 GKCBRO CCOc1ccc(C[NH2+]C2(c3ccccc3F)CCCC2)cc1Cn1ccnc1 ZINC000019533677 570999888 /nfs/dbraw/zinc/99/98/88/570999888.db2.gz BQSZLSYXOLZXDQ-UHFFFAOYSA-N 1 0 393.506 5.028 40 10 GKCBRO Fc1cc(C[N@H+](Cc2ccccc2)Cc2ccncc2)ccc1N1CCCC1 ZINC000019371525 210246941 /nfs/dbraw/zinc/24/69/41/210246941.db2.gz UISAFLBTBKHMOU-UHFFFAOYSA-N 1 0 375.491 5.023 40 10 GKCBRO CCN(CC[N+](C)(C)C)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000256231797 222745628 /nfs/dbraw/zinc/74/56/28/222745628.db2.gz TZXATTMVGZDPHM-UHFFFAOYSA-N 1 0 390.895 5.196 40 10 GKCBRO CC1=NN(c2ccccc2)C(=O)C1=CNc1c2ccccc2[nH+]c2ccccc21 ZINC000100927419 570279482 /nfs/dbraw/zinc/27/94/82/570279482.db2.gz BUCDLIYWWSCTBK-HKWRFOASSA-N 1 0 378.435 5.107 40 10 GKCBRO CC[NH+](CC)CCOC(=O)c1ccc(NN=C2C=C(C)C(=O)C=C2C(C)C)cc1 ZINC000104345692 570301572 /nfs/dbraw/zinc/30/15/72/570301572.db2.gz MHQZEQWTDWMWTJ-IZHYLOQSSA-N 1 0 397.519 5.738 40 10 GKCBRO CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1c2ccccc2[nH+]c2ccccc21 ZINC000104820135 570303595 /nfs/dbraw/zinc/30/35/95/570303595.db2.gz SKZGEKXHDRIOKR-QNGOZBTKSA-N 1 0 392.462 5.415 40 10 GKCBRO COc1ccc2[nH+]c3cc(Cl)ccc3c(Nc3ccc(N(C)C)cc3)c2c1 ZINC000004522593 570381771 /nfs/dbraw/zinc/38/17/71/570381771.db2.gz OBCKMAZMNQBZOY-UHFFFAOYSA-N 1 0 377.875 5.860 40 10 GKCBRO CCCCCC[NH2+]Cc1cc(C(C)(C)C)cc(C[NH2+]CCCCCC)c1[O-] ZINC000004706016 570396127 /nfs/dbraw/zinc/39/61/27/570396127.db2.gz GPRWMHCAGDWJTM-UHFFFAOYSA-N 1 0 376.629 6.030 40 10 GKCBRO CCC[NH+](CCC)Cc1cc2c(cc1O)CC[C@H]1[C@H]3CCC(=O)[C@]3(C)CC[C@H]21 ZINC000008615414 570535411 /nfs/dbraw/zinc/53/54/11/570535411.db2.gz ZTWPYCVZXVNGJI-SEINPYIVSA-N 1 0 383.576 5.439 40 10 GKCBRO CCCC[NH+](Cc1c(O)ccc2ccccc21)Cc1c(O)ccc2ccccc21 ZINC000004706017 570897334 /nfs/dbraw/zinc/89/73/34/570897334.db2.gz LANZFGLWXMOCID-UHFFFAOYSA-N 1 0 385.507 6.207 40 10 GKCBRO CCc1nc2ccccc2c(=O)n1N[N+](=Nc1ccc(C)cc1)c1ccc(C)cc1 ZINC000408720719 529748596 /nfs/dbraw/zinc/74/85/96/529748596.db2.gz XPEAJURAKBGHDZ-UHFFFAOYSA-N 1 0 398.490 5.162 40 10 GKCBRO CCN1c2ccccc2C(C)(C)/C1=C\C=C\C1=[N+](CC)c2ccccc2C1(C)C ZINC000004521388 209494576 /nfs/dbraw/zinc/49/45/76/209494576.db2.gz PUIDNHIQNRMZGS-UHFFFAOYSA-N 1 0 385.575 6.341 40 10 in-vitro GKCBRO CCN(CC)c1ccc(C=Cc2n(C)c3ccccc3[n+]2-c2ccccc2)cc1 ZINC000004366544 209483647 /nfs/dbraw/zinc/48/36/47/209483647.db2.gz BLUSELMMRWDVJS-UHFFFAOYSA-N 1 0 382.531 5.472 40 10 GKCBRO C[NH+](C)CC/C(Br)=C1\c2ccccc2Sc2ccc(Cl)cc21 ZINC000001718762 206390494 /nfs/dbraw/zinc/39/04/94/206390494.db2.gz GIPZEBVVCBOXAG-SDXDJHTJSA-N 1 0 394.765 5.911 40 10 GKCBRO Cc1ccc2c(c1)C(C)(C)/C(=C\C=CC1=[N+](C)c3ccc(C)cc3C1(C)C)N2C ZINC000068572117 207922029 /nfs/dbraw/zinc/92/20/29/207922029.db2.gz COPXXCRQUPEHNL-UHFFFAOYSA-N 1 0 385.575 6.177 40 10 GKCBRO CCSc1ccc(N[N+](=O)c2ccc(SCC)c(Cl)c2)cc1Cl ZINC000104036737 570297225 /nfs/dbraw/zinc/29/72/25/570297225.db2.gz KXSMAFVQSLXNGX-UHFFFAOYSA-N 1 0 387.357 7.143 40 10 GKCBRO CC[NH+](CC)CCOC(=O)c1ccc(NN=C2C=C(Cl)C(C)=CC2=O)cc1 ZINC000104345726 570301629 /nfs/dbraw/zinc/30/16/29/570301629.db2.gz FTCZUKCXGMVRIF-FCQUAONHSA-N 1 0 389.883 5.268 40 10 GKCBRO CCCC[NH+](CCCC)CCCCCCCN1CCCc2cc(OC)ccc21 ZINC000004366775 570371519 /nfs/dbraw/zinc/37/15/19/570371519.db2.gz JUEBWPBPHGXDMG-UHFFFAOYSA-N 1 0 388.640 6.301 40 10 GKCBRO Cc1cc(/C=C/c2ccc3cc(C)ccc3[n+]2CCO)c(C)n1-c1ccccc1 ZINC000004366807 570371533 /nfs/dbraw/zinc/37/15/33/570371533.db2.gz OLNROXJGCKKYRZ-UHFFFAOYSA-N 1 0 383.515 5.006 40 10 GKCBRO CC/C(=C(/CC)c1ccc(O)c(C[NH+]2CCCCC2)c1)c1ccc(OC)cc1 ZINC000001641575 212252429 /nfs/dbraw/zinc/25/24/29/212252429.db2.gz DYCPAQKCVNRCQY-WCWDXBQESA-N 1 0 379.544 6.118 40 10 GKCBRO Cc1cccc(N[C@H](c2ccccc2)c2cc(Cl)c3cccnc3c2O)n1 ZINC000045944531 212118442 /nfs/dbraw/zinc/11/84/42/212118442.db2.gz MWABDKXXBDTNAV-HXUWFJFHSA-N 1 0 375.859 5.499 40 10 GKCBRO CC(=O)Nc1ccc2c(c1)/C(=C/C=C/c1ccc([N+](C)(C)C)cc1)c1ccccc1-2 ZINC000001608850 206387278 /nfs/dbraw/zinc/38/72/78/206387278.db2.gz XTWGHZRFCKQXNC-KBQNBFETSA-O 1 0 395.526 5.967 40 10 GKCBRO CCCCCCOc1ccc(N[N+](=O)c2ccc(OCCCCCC)cc2)cc1 ZINC000100013317 211381421 /nfs/dbraw/zinc/38/14/21/211381421.db2.gz GWRSINRMEBHRIO-OCEACIFDSA-N 1 0 398.547 7.531 40 10 GKCBRO CCCCCN1c2ccccc2S/C1=C\c1ccc2ccccc2[n+]1CC ZINC000005027451 220814473 /nfs/dbraw/zinc/81/44/73/220814473.db2.gz HXZRNQJYJJAYHX-UHFFFAOYSA-N 1 0 375.561 6.248 40 10 GKCBRO CC(=O)Nc1ccc2c(c1)/C(=C\C=C\c1ccc([N+](C)(C)C)cc1)c1ccccc1-2 ZINC000008613758 221047162 /nfs/dbraw/zinc/04/71/62/221047162.db2.gz XTWGHZRFCKQXNC-BBPFTJFMSA-O 1 0 395.526 5.967 40 10 GKCBRO CC(=O)Nc1ccc2c(c1)/C(=C/C=C\c1ccc([N+](C)(C)C)cc1)c1ccccc1-2 ZINC000017285017 221382509 /nfs/dbraw/zinc/38/25/09/221382509.db2.gz XTWGHZRFCKQXNC-GUFXIWRGSA-O 1 0 395.526 5.967 40 10 GKCBRO CC[NH+](CC)Cc1cc(Nc2cc(Cl)c3ccc(N(C)C)cc3n2)ccc1O ZINC000001557416 570264423 /nfs/dbraw/zinc/26/44/23/570264423.db2.gz VLUMZUZAAWSXFS-UHFFFAOYSA-N 1 0 398.938 5.245 40 10 GKCBRO CCCC[N@@H+](Cc1ccc(N(CC)CC)cc1)C[C@@H](O)c1ccc(Cl)cc1 ZINC000001595087 570265597 /nfs/dbraw/zinc/26/55/97/570265597.db2.gz RUWIVUJXHJFZHJ-HSZRJFAPSA-N 1 0 388.983 5.522 40 10 GKCBRO CCC[NH+](CCC)Cc1cc2c(cc1O)CC[C@@H]1[C@H]3CCC(=O)[C@]3(C)CC[C@H]21 ZINC000104354050 570301945 /nfs/dbraw/zinc/30/19/45/570301945.db2.gz ZTWPYCVZXVNGJI-IXGWMPLNSA-N 1 0 383.576 5.439 40 10 GKCBRO CC[n+]1c(/C=C2\Sc3ccc4ccsc4c3N2C)ccc2cc(C)ccc21 ZINC000004535102 570382477 /nfs/dbraw/zinc/38/24/77/570382477.db2.gz YGJKUTPRYJJPHN-UHFFFAOYSA-N 1 0 389.569 6.211 40 10 GKCBRO CC(C)(C)c1ccc(/C=C2\SC(=S)N(C[NH+]3CCCCCC3)C2=O)cc1 ZINC000059488425 570658322 /nfs/dbraw/zinc/65/83/22/570658322.db2.gz JXJDZSMMLOMAJT-JXAWBTAJSA-N 1 0 388.602 5.019 40 10 GKCBRO CC(=O)Nc1ccc2c(c1)/C(=C\C=C/c1ccc([N+](C)(C)C)cc1)c1ccccc1-2 ZINC000017285014 570944494 /nfs/dbraw/zinc/94/44/94/570944494.db2.gz XTWGHZRFCKQXNC-XPSFHQJYSA-O 1 0 395.526 5.967 40 10 GKCBRO CCN1c2ccc(C)cc2S/C1=C\c1ccc2cc(OC)ccc2[n+]1CC ZINC000005027454 220814962 /nfs/dbraw/zinc/81/49/62/220814962.db2.gz ACKBPFOMWDANOW-UHFFFAOYSA-N 1 0 377.533 5.395 40 10 GKCBRO CC[NH+](CC)CCOC(=O)c1ccc(NN=C2C=CC(=O)c3ccccc32)cc1 ZINC000104345660 570301557 /nfs/dbraw/zinc/30/15/57/570301557.db2.gz URYRCAKCGLDEBK-IZHYLOQSSA-N 1 0 391.471 5.459 40 10 GKCBRO CCC[NH+](CCC)Cc1cc2c(cc1O)CC[C@@H]1[C@H]3CCC(=O)[C@]3(C)CC[C@@H]21 ZINC000104354061 570301959 /nfs/dbraw/zinc/30/19/59/570301959.db2.gz ZTWPYCVZXVNGJI-BVVSVSJTSA-N 1 0 383.576 5.439 40 10 GKCBRO COc1cc([N+]#N)cc(OC)c1/N=N/c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000004582905 570385860 /nfs/dbraw/zinc/38/58/60/570385860.db2.gz WOVXXCUIZVKATN-FMQUCBEESA-N 1 0 383.171 5.819 40 10 GKCBRO CCN1c2ccccc2S/C1=C\C=C1/CCC[n+]2c3ccccc3sc21 ZINC000027232790 570432515 /nfs/dbraw/zinc/43/25/15/570432515.db2.gz MCPLSRXEEFCKTA-UHFFFAOYSA-N 1 0 377.558 5.840 40 10 GKCBRO CC[NH+](CC)CC1=c2ccccc2=CC(=NNc2cccc3ccccc32)C1=O ZINC000005492944 570442643 /nfs/dbraw/zinc/44/26/43/570442643.db2.gz ZIEAKLAIBVZNDU-CYYJNZCTSA-N 1 0 383.495 6.956 40 10 GKCBRO CC[n+]1c(/C=C2\C=Cc3ccccc3N2CC)sc2c1ccc1ccccc21 ZINC000001804218 570634581 /nfs/dbraw/zinc/63/45/81/570634581.db2.gz USOXUGJKUPORSQ-UHFFFAOYSA-N 1 0 383.540 6.256 40 10 GKCBRO Cc1ccc(N[C@@H](c2ccccc2)c2cc(Cl)c3cccnc3c2O)nc1 ZINC000045944522 212118041 /nfs/dbraw/zinc/11/80/41/212118041.db2.gz ASXQXISXNJMZSA-FQEVSTJZSA-N 1 0 375.859 5.499 40 10 GKCBRO CN1CCCc2cc(C[N@@H+]3CCC[C@@H]3c3ccc(Cc4ccccc4)cn3)ccc21 ZINC000257312065 212021377 /nfs/dbraw/zinc/02/13/77/212021377.db2.gz UMIZDHCSJCFKIK-HHHXNRCGSA-N 1 0 397.566 5.392 40 10 GKCBRO COc1ccc2c(c1)CCCN2CCCCCCCCCC[NH+]1CCCCC1 ZINC000004366164 204042221 /nfs/dbraw/zinc/04/22/21/204042221.db2.gz RTVQNOSQOTXWNT-UHFFFAOYSA-N 1 0 386.624 6.055 40 10 GKCBRO CCCC[N@@H+](Cc1ccc(N(CC)CC)cc1)C[C@H](O)c1ccc(Cl)cc1 ZINC000005499212 204136572 /nfs/dbraw/zinc/13/65/72/204136572.db2.gz RUWIVUJXHJFZHJ-QHCPKHFHSA-N 1 0 388.983 5.522 40 10 GKCBRO COc1cc([N+]#N)c(OC)cc1/N=N\c1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000006661375 206661604 /nfs/dbraw/zinc/66/16/04/206661604.db2.gz VTOWZOJOEIGNGU-VXPUYCOJSA-N 1 0 383.171 5.819 40 10 GKCBRO Cc1ccc2c(c1)[nH+]c1ccccc1c2Nc1ccc(NS(C)(=O)=O)cc1C ZINC000004773118 220763420 /nfs/dbraw/zinc/76/34/20/220763420.db2.gz BUYZGDHJMRZPRB-UHFFFAOYSA-N 1 0 391.496 5.120 40 10 GKCBRO CN(C)c1ccc(N=[N+]=c2n(C)c(-c3ccccc3)c(-c3ccccc3)n2C)cc1 ZINC000005337954 570434672 /nfs/dbraw/zinc/43/46/72/570434672.db2.gz FLNHBMFTFHOCTO-UHFFFAOYSA-N 1 0 396.518 5.665 40 10 GKCBRO CCCN1c2cc(C)ccc2S/C1=C\c1ccc2cc(C)ccc2[n+]1CCC ZINC000004535114 570631784 /nfs/dbraw/zinc/63/17/84/570631784.db2.gz CFEIDJZPQSXDOY-UHFFFAOYSA-N 1 0 389.588 6.475 40 10 GKCBRO Cc1ccc(C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(N3CCCC3)c(F)c2)cc1 ZINC000004935238 570644837 /nfs/dbraw/zinc/64/48/37/570644837.db2.gz ZSOQERKAGLCRLU-NOTZXAQLSA-N 1 0 378.535 5.645 40 10 GKCBRO CC[NH+](CC)CCCNc1cc(OC)c(Nc2ccccc2)c2cccnc12 ZINC000001666870 209336007 /nfs/dbraw/zinc/33/60/07/209336007.db2.gz FXMYAFICWADZRR-UHFFFAOYSA-N 1 0 378.520 5.131 40 10 GKCBRO COc1ccc2[nH+]c3cc(Cl)ccc3c(Nc3ccc([N+](=O)[O-])cc3)c2c1 ZINC000004366506 204042545 /nfs/dbraw/zinc/04/25/45/204042545.db2.gz HVDVDZUJOHLSKI-UHFFFAOYSA-N 1 0 379.803 5.702 40 10 GKCBRO [O-]c1c(O)c(C[NH+]2CCCCCC2)c2ccccc2c1C[NH+]1CCCCCC1 ZINC000096305855 211333754 /nfs/dbraw/zinc/33/37/54/211333754.db2.gz FXEMACRAIKSXAV-UHFFFAOYSA-N 1 0 382.548 5.003 40 10 GKCBRO CN(C)c1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccc(Cl)cc2)cc1 ZINC000095935040 208240718 /nfs/dbraw/zinc/24/07/18/208240718.db2.gz XXXMXQTVJZBBAG-XMMPIXPASA-N 1 0 394.946 5.142 40 10 GKCBRO CCC[NH+](CCC)Cc1cc2c(cc1O)CC[C@H]1[C@H]3CCC(=O)[C@]3(C)CC[C@@H]21 ZINC000008615415 221046785 /nfs/dbraw/zinc/04/67/85/221046785.db2.gz ZTWPYCVZXVNGJI-KLPRUGGUSA-N 1 0 383.576 5.439 40 10 GKCBRO CC(C)(C)CC(C)(C)c1ccc(O)c(C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000003084354 136193592 /nfs/dbraw/zinc/19/35/92/136193592.db2.gz HVWYUIWYDVVWMT-UHFFFAOYSA-N 1 0 380.576 5.428 40 10 GKCBRO CCCCCCOc1ccc(N[N+](=O)c2ccc(OCCCCCC)cc2)cc1 ZINC000100015208 222455152 /nfs/dbraw/zinc/45/51/52/222455152.db2.gz GWRSINRMEBHRIO-UHFFFAOYSA-N 1 0 398.547 7.531 40 10 GKCBRO CC/C(=C(\CC)c1ccc(O)c(C[NH+]2CCCCC2)c1)c1ccc(OC)cc1 ZINC000001641574 570266381 /nfs/dbraw/zinc/26/63/81/570266381.db2.gz DYCPAQKCVNRCQY-VHXPQNKSSA-N 1 0 379.544 6.118 40 10 GKCBRO CC[NH+](CC)Cc1cc(C(C)(C)c2ccccc2)cc(C2CCCCC2)c1O ZINC000001683281 570267224 /nfs/dbraw/zinc/26/72/24/570267224.db2.gz VAEPITRUOFMBPS-UHFFFAOYSA-N 1 0 379.588 6.608 40 10 GKCBRO CC[NH+](CC)CC1=CC(=NNc2cccc3ccccc32)c2ccccc2C1=O ZINC000104201578 570299144 /nfs/dbraw/zinc/29/91/44/570299144.db2.gz IHCYJXMELQMPTG-RQZHXJHFSA-N 1 0 383.495 6.956 40 10 GKCBRO C[NH+](C)CC/C(Br)=C1/c2ccccc2Sc2ccc(Cl)cc21 ZINC000017353410 570946098 /nfs/dbraw/zinc/94/60/98/570946098.db2.gz GIPZEBVVCBOXAG-OBGWFSINSA-N 1 0 394.765 5.911 40 10 GKCBRO